USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 783 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 100 LYS NZ :NH3+ -167:sc= 1.31 (180deg=0) USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= 1.03 USER MOD Set 2.1: A 81 HIS : no HD1:sc= -0.578 X(o=-3.1,f=-3.5) USER MOD Set 2.2: A 82 ASN : amide:sc= -2.5! C(o=-3.1!,f=-5.2!) USER MOD Set 3.1: A 66 SER OG : rot 85:sc= 0.727 USER MOD Set 3.2: A 96 TYR OH : rot 180:sc= 0.947 USER MOD Set 4.1: A 62 TYR OH : rot 180:sc= 0.868 USER MOD Set 4.2: A 86 ASN : amide:sc= 1.41 K(o=2.3,f=-3.9!) USER MOD Set 5.1: A 37 ASN :FLIP amide:sc= -0.405 F(o=-1.1,f=-0.48) USER MOD Set 5.2: A 90 THR OG1 : rot -120:sc= -0.0773 USER MOD Single : A 34 MET CE :methyl -161:sc= -0.107 (180deg=-0.594) USER MOD Single : A 36 THR OG1 : rot -3:sc= 0.594 USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -103:sc= 0.769 (180deg=-0.728!) USER MOD Single : A 45 TYR OH : rot 26:sc= 0.695 USER MOD Single : A 56 SER OG : rot 101:sc= 0.287 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -33:sc= 0.497 USER MOD Single : A 63 HIS : no HD1:sc= -0.0404 X(o=-0.04,f=-0.0018) USER MOD Single : A 64 TYR OH : rot 150:sc= 0 USER MOD Single : A 67 THR OG1 : rot 34:sc= 0.148 USER MOD Single : A 69 LYS NZ :NH3+ 179:sc= 0.038 (180deg=0.0364) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0744 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 33:sc= 0.27 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 150:sc= 0.0831 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 145:sc= -2.52! (180deg=-4.56!) USER MOD Single : A 122 ASN :FLIP amide:sc= -0.0298 F(o=-0.81,f=-0.03) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 131 HIS : no HD1:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 132 HIS : no HD1:sc= -0.408 X(o=-0.41,f=-0.26) USER MOD Single : A 133 HIS : no HD1:sc=-0.00215 X(o=-0.0021,f=-0.011) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 34 -22.957 -2.627 -5.826 1.00 2.22 N ATOM 2 CA MET A 34 -21.594 -2.620 -6.427 1.00 31.41 C ATOM 3 C MET A 34 -21.507 -1.608 -7.582 1.00 33.44 C ATOM 4 O MET A 34 -20.754 -0.631 -7.512 1.00 20.41 O ATOM 5 CB MET A 34 -21.228 -4.027 -6.929 1.00 32.44 C ATOM 6 CG MET A 34 -19.815 -4.143 -7.499 1.00 22.32 C ATOM 7 SD MET A 34 -19.460 -5.788 -8.155 1.00 34.13 S ATOM 8 CE MET A 34 -19.712 -6.808 -6.705 1.00 61.54 C ATOM 0 HA MET A 34 -20.884 -2.321 -5.656 1.00 31.41 H new ATOM 0 HB2 MET A 34 -21.334 -4.733 -6.105 1.00 32.44 H new ATOM 0 HB3 MET A 34 -21.943 -4.323 -7.697 1.00 32.44 H new ATOM 0 HG2 MET A 34 -19.685 -3.405 -8.291 1.00 22.32 H new ATOM 0 HG3 MET A 34 -19.092 -3.904 -6.719 1.00 22.32 H new ATOM 0 HE1 MET A 34 -19.219 -7.770 -6.846 1.00 61.54 H new ATOM 0 HE2 MET A 34 -19.291 -6.309 -5.832 1.00 61.54 H new ATOM 0 HE3 MET A 34 -20.780 -6.967 -6.553 1.00 61.54 H new ATOM 20 N ASP A 35 -22.280 -1.848 -8.640 1.00 73.22 N ATOM 21 CA ASP A 35 -22.304 -0.965 -9.809 1.00 3.12 C ATOM 22 C ASP A 35 -22.973 0.383 -9.481 1.00 62.15 C ATOM 23 O ASP A 35 -24.191 0.527 -9.577 1.00 30.24 O ATOM 24 CB ASP A 35 -23.034 -1.656 -10.966 1.00 62.24 C ATOM 25 CG ASP A 35 -22.336 -2.932 -11.397 1.00 44.04 C ATOM 26 OD1 ASP A 35 -22.518 -3.975 -10.732 1.00 43.24 O ATOM 27 OD2 ASP A 35 -21.597 -2.901 -12.404 1.00 14.30 O ATOM 0 H ASP A 35 -22.903 -2.652 -8.713 1.00 73.22 H new ATOM 0 HA ASP A 35 -21.275 -0.760 -10.104 1.00 3.12 H new ATOM 0 HB2 ASP A 35 -24.056 -1.886 -10.664 1.00 62.24 H new ATOM 0 HB3 ASP A 35 -23.098 -0.974 -11.814 1.00 62.24 H new ATOM 32 N THR A 36 -22.168 1.360 -9.059 1.00 62.23 N ATOM 33 CA THR A 36 -22.685 2.698 -8.724 1.00 72.32 C ATOM 34 C THR A 36 -21.595 3.775 -8.823 1.00 40.34 C ATOM 35 O THR A 36 -21.701 4.708 -9.618 1.00 42.12 O ATOM 36 CB THR A 36 -23.300 2.744 -7.297 1.00 42.52 C ATOM 37 OG1 THR A 36 -24.380 1.800 -7.181 1.00 74.51 O ATOM 38 CG2 THR A 36 -23.816 4.143 -6.961 1.00 4.40 C ATOM 0 H THR A 36 -21.160 1.256 -8.940 1.00 62.23 H new ATOM 0 HA THR A 36 -23.464 2.906 -9.457 1.00 72.32 H new ATOM 0 HB THR A 36 -22.510 2.482 -6.593 1.00 42.52 H new ATOM 0 HG1 THR A 36 -24.524 1.360 -8.045 1.00 74.51 H new ATOM 0 HG21 THR A 36 -24.240 4.143 -5.957 1.00 4.40 H new ATOM 0 HG22 THR A 36 -22.992 4.855 -7.007 1.00 4.40 H new ATOM 0 HG23 THR A 36 -24.584 4.430 -7.679 1.00 4.40 H new ATOM 46 N ASN A 37 -20.543 3.643 -8.013 1.00 73.13 N ATOM 47 CA ASN A 37 -19.485 4.667 -7.939 1.00 2.24 C ATOM 48 C ASN A 37 -18.100 4.084 -8.271 1.00 33.33 C ATOM 49 O ASN A 37 -17.077 4.698 -7.978 1.00 43.03 O ATOM 50 CB ASN A 37 -19.466 5.278 -6.525 1.00 2.33 C ATOM 51 CG ASN A 37 -18.793 6.644 -6.471 1.00 74.41 C ATOM 52 OD1 ASN A 37 -17.486 6.667 -6.300 1.00 74.21 O flip ATOM 53 ND2 ASN A 37 -19.444 7.673 -6.598 1.00 2.12 N flip ATOM 0 H ASN A 37 -20.396 2.842 -7.399 1.00 73.13 H new ATOM 0 HA ASN A 37 -19.706 5.436 -8.679 1.00 2.24 H new ATOM 0 HB2 ASN A 37 -20.490 5.370 -6.162 1.00 2.33 H new ATOM 0 HB3 ASN A 37 -18.948 4.598 -5.849 1.00 2.33 H new ATOM 0 HD21 ASN A 37 -20.454 7.624 -6.729 1.00 2.12 H new ATOM 0 HD22 ASN A 37 -18.976 8.579 -6.573 1.00 2.12 H new ATOM 60 N ASN A 38 -18.073 2.905 -8.896 1.00 54.52 N ATOM 61 CA ASN A 38 -16.813 2.200 -9.173 1.00 53.15 C ATOM 62 C ASN A 38 -15.924 2.133 -7.918 1.00 61.52 C ATOM 63 O ASN A 38 -14.858 2.749 -7.859 1.00 30.33 O ATOM 64 CB ASN A 38 -16.061 2.868 -10.332 1.00 24.22 C ATOM 65 CG ASN A 38 -16.845 2.822 -11.631 1.00 14.41 C ATOM 66 OD1 ASN A 38 -17.614 1.901 -11.874 1.00 50.33 O ATOM 67 ND2 ASN A 38 -16.654 3.812 -12.476 1.00 73.25 N ATOM 0 H ASN A 38 -18.907 2.416 -9.221 1.00 54.52 H new ATOM 0 HA ASN A 38 -17.060 1.179 -9.464 1.00 53.15 H new ATOM 0 HB2 ASN A 38 -15.850 3.906 -10.075 1.00 24.22 H new ATOM 0 HB3 ASN A 38 -15.100 2.372 -10.472 1.00 24.22 H new ATOM 0 HD21 ASN A 38 -17.154 3.828 -13.365 1.00 73.25 H new ATOM 0 HD22 ASN A 38 -16.006 4.564 -12.242 1.00 73.25 H new ATOM 74 N PHE A 39 -16.399 1.406 -6.907 1.00 61.53 N ATOM 75 CA PHE A 39 -15.681 1.266 -5.635 1.00 42.32 C ATOM 76 C PHE A 39 -14.334 0.548 -5.820 1.00 60.31 C ATOM 77 O PHE A 39 -14.284 -0.670 -6.001 1.00 65.11 O ATOM 78 CB PHE A 39 -16.551 0.501 -4.626 1.00 12.51 C ATOM 79 CG PHE A 39 -17.871 1.174 -4.336 1.00 45.15 C ATOM 80 CD1 PHE A 39 -18.986 0.927 -5.131 1.00 1.20 C ATOM 81 CD2 PHE A 39 -17.999 2.055 -3.272 1.00 51.35 C ATOM 82 CE1 PHE A 39 -20.194 1.547 -4.870 1.00 23.13 C ATOM 83 CE2 PHE A 39 -19.205 2.676 -3.008 1.00 62.22 C ATOM 84 CZ PHE A 39 -20.304 2.422 -3.808 1.00 2.41 C ATOM 0 H PHE A 39 -17.284 0.901 -6.943 1.00 61.53 H new ATOM 0 HA PHE A 39 -15.474 2.266 -5.255 1.00 42.32 H new ATOM 0 HB2 PHE A 39 -16.740 -0.502 -5.009 1.00 12.51 H new ATOM 0 HB3 PHE A 39 -15.998 0.388 -3.694 1.00 12.51 H new ATOM 0 HD1 PHE A 39 -18.907 0.242 -5.962 1.00 1.20 H new ATOM 0 HD2 PHE A 39 -17.146 2.258 -2.642 1.00 51.35 H new ATOM 0 HE1 PHE A 39 -21.051 1.347 -5.496 1.00 23.13 H new ATOM 0 HE2 PHE A 39 -19.289 3.360 -2.176 1.00 62.22 H new ATOM 0 HZ PHE A 39 -21.247 2.907 -3.602 1.00 2.41 H new ATOM 94 N THR A 40 -13.246 1.316 -5.784 1.00 1.32 N ATOM 95 CA THR A 40 -11.891 0.764 -5.935 1.00 60.22 C ATOM 96 C THR A 40 -10.964 1.218 -4.800 1.00 12.22 C ATOM 97 O THR A 40 -11.139 2.294 -4.224 1.00 12.52 O ATOM 98 CB THR A 40 -11.238 1.174 -7.283 1.00 2.12 C ATOM 99 OG1 THR A 40 -11.183 2.606 -7.403 1.00 24.12 O ATOM 100 CG2 THR A 40 -11.999 0.594 -8.473 1.00 61.41 C ATOM 0 H THR A 40 -13.272 2.327 -5.651 1.00 1.32 H new ATOM 0 HA THR A 40 -12.011 -0.319 -5.905 1.00 60.22 H new ATOM 0 HB THR A 40 -10.226 0.770 -7.289 1.00 2.12 H new ATOM 0 HG1 THR A 40 -10.767 2.847 -8.257 1.00 24.12 H new ATOM 0 HG21 THR A 40 -11.514 0.901 -9.400 1.00 61.41 H new ATOM 0 HG22 THR A 40 -12.001 -0.494 -8.408 1.00 61.41 H new ATOM 0 HG23 THR A 40 -13.026 0.960 -8.462 1.00 61.41 H new ATOM 108 N VAL A 41 -9.978 0.383 -4.485 1.00 65.33 N ATOM 109 CA VAL A 41 -8.962 0.708 -3.482 1.00 43.12 C ATOM 110 C VAL A 41 -7.566 0.761 -4.114 1.00 71.25 C ATOM 111 O VAL A 41 -7.038 -0.259 -4.557 1.00 15.21 O ATOM 112 CB VAL A 41 -8.954 -0.330 -2.333 1.00 43.24 C ATOM 113 CG1 VAL A 41 -7.833 -0.033 -1.333 1.00 74.43 C ATOM 114 CG2 VAL A 41 -10.313 -0.370 -1.637 1.00 72.23 C ATOM 0 H VAL A 41 -9.859 -0.535 -4.914 1.00 65.33 H new ATOM 0 HA VAL A 41 -9.215 1.688 -3.076 1.00 43.12 H new ATOM 0 HB VAL A 41 -8.763 -1.313 -2.763 1.00 43.24 H new ATOM 0 HG11 VAL A 41 -7.850 -0.777 -0.536 1.00 74.43 H new ATOM 0 HG12 VAL A 41 -6.871 -0.070 -1.844 1.00 74.43 H new ATOM 0 HG13 VAL A 41 -7.980 0.959 -0.906 1.00 74.43 H new ATOM 0 HG21 VAL A 41 -10.288 -1.105 -0.833 1.00 72.23 H new ATOM 0 HG22 VAL A 41 -10.539 0.613 -1.224 1.00 72.23 H new ATOM 0 HG23 VAL A 41 -11.083 -0.646 -2.357 1.00 72.23 H new ATOM 124 N LYS A 42 -6.966 1.944 -4.148 1.00 43.12 N ATOM 125 CA LYS A 42 -5.646 2.108 -4.756 1.00 51.50 C ATOM 126 C LYS A 42 -4.535 1.941 -3.711 1.00 15.41 C ATOM 127 O LYS A 42 -4.433 2.713 -2.758 1.00 74.41 O ATOM 128 CB LYS A 42 -5.533 3.475 -5.450 1.00 45.23 C ATOM 129 CG LYS A 42 -4.320 3.588 -6.378 1.00 23.01 C ATOM 130 CD LYS A 42 -3.313 4.637 -5.913 1.00 52.05 C ATOM 131 CE LYS A 42 -2.120 4.714 -6.863 1.00 64.13 C ATOM 132 NZ LYS A 42 -1.326 5.965 -6.708 1.00 43.04 N ATOM 0 H LYS A 42 -7.367 2.800 -3.765 1.00 43.12 H new ATOM 0 HA LYS A 42 -5.524 1.329 -5.508 1.00 51.50 H new ATOM 0 HB2 LYS A 42 -6.440 3.658 -6.026 1.00 45.23 H new ATOM 0 HB3 LYS A 42 -5.475 4.256 -4.691 1.00 45.23 H new ATOM 0 HG2 LYS A 42 -3.825 2.619 -6.441 1.00 23.01 H new ATOM 0 HG3 LYS A 42 -4.660 3.838 -7.383 1.00 23.01 H new ATOM 0 HD2 LYS A 42 -3.799 5.611 -5.855 1.00 52.05 H new ATOM 0 HD3 LYS A 42 -2.967 4.393 -4.909 1.00 52.05 H new ATOM 0 HE2 LYS A 42 -1.471 3.856 -6.691 1.00 64.13 H new ATOM 0 HE3 LYS A 42 -2.477 4.643 -7.890 1.00 64.13 H new ATOM 0 HZ1 LYS A 42 -1.552 6.618 -7.485 1.00 43.04 H new ATOM 0 HZ2 LYS A 42 -1.559 6.414 -5.799 1.00 43.04 H new ATOM 0 HZ3 LYS A 42 -0.311 5.737 -6.732 1.00 43.04 H new ATOM 146 N VAL A 43 -3.705 0.922 -3.892 1.00 64.44 N ATOM 147 CA VAL A 43 -2.612 0.640 -2.962 1.00 41.24 C ATOM 148 C VAL A 43 -1.316 1.322 -3.420 1.00 41.45 C ATOM 149 O VAL A 43 -0.755 0.972 -4.458 1.00 12.31 O ATOM 150 CB VAL A 43 -2.369 -0.886 -2.828 1.00 41.01 C ATOM 151 CG1 VAL A 43 -1.325 -1.178 -1.751 1.00 23.34 C ATOM 152 CG2 VAL A 43 -3.680 -1.622 -2.540 1.00 30.40 C ATOM 0 H VAL A 43 -3.766 0.273 -4.677 1.00 64.44 H new ATOM 0 HA VAL A 43 -2.903 1.037 -1.990 1.00 41.24 H new ATOM 0 HB VAL A 43 -1.981 -1.253 -3.778 1.00 41.01 H new ATOM 0 HG11 VAL A 43 -1.172 -2.254 -1.675 1.00 23.34 H new ATOM 0 HG12 VAL A 43 -0.384 -0.695 -2.016 1.00 23.34 H new ATOM 0 HG13 VAL A 43 -1.673 -0.793 -0.793 1.00 23.34 H new ATOM 0 HG21 VAL A 43 -3.485 -2.691 -2.450 1.00 30.40 H new ATOM 0 HG22 VAL A 43 -4.108 -1.252 -1.609 1.00 30.40 H new ATOM 0 HG23 VAL A 43 -4.381 -1.449 -3.356 1.00 30.40 H new ATOM 162 N GLU A 44 -0.849 2.292 -2.638 1.00 20.34 N ATOM 163 CA GLU A 44 0.372 3.036 -2.960 1.00 52.34 C ATOM 164 C GLU A 44 1.555 2.564 -2.104 1.00 60.44 C ATOM 165 O GLU A 44 1.510 2.595 -0.871 1.00 43.44 O ATOM 166 CB GLU A 44 0.149 4.541 -2.741 1.00 22.31 C ATOM 167 CG GLU A 44 -1.064 5.091 -3.478 1.00 41.30 C ATOM 168 CD GLU A 44 -1.196 6.606 -3.396 1.00 23.13 C ATOM 169 OE1 GLU A 44 -1.481 7.133 -2.308 1.00 4.40 O ATOM 170 OE2 GLU A 44 -1.032 7.275 -4.433 1.00 33.52 O ATOM 0 H GLU A 44 -1.299 2.585 -1.771 1.00 20.34 H new ATOM 0 HA GLU A 44 0.608 2.849 -4.008 1.00 52.34 H new ATOM 0 HB2 GLU A 44 0.032 4.731 -1.674 1.00 22.31 H new ATOM 0 HB3 GLU A 44 1.037 5.082 -3.066 1.00 22.31 H new ATOM 0 HG2 GLU A 44 -1.006 4.797 -4.526 1.00 41.30 H new ATOM 0 HG3 GLU A 44 -1.965 4.634 -3.068 1.00 41.30 H new ATOM 177 N TYR A 45 2.616 2.130 -2.772 1.00 22.12 N ATOM 178 CA TYR A 45 3.830 1.675 -2.090 1.00 41.44 C ATOM 179 C TYR A 45 4.834 2.822 -2.022 1.00 24.05 C ATOM 180 O TYR A 45 5.533 3.114 -2.992 1.00 30.12 O ATOM 181 CB TYR A 45 4.419 0.459 -2.816 1.00 50.42 C ATOM 182 CG TYR A 45 3.454 -0.709 -2.863 1.00 63.44 C ATOM 183 CD1 TYR A 45 2.443 -0.764 -3.819 1.00 24.13 C ATOM 184 CD2 TYR A 45 3.537 -1.743 -1.938 1.00 15.50 C ATOM 185 CE1 TYR A 45 1.544 -1.809 -3.850 1.00 33.32 C ATOM 186 CE2 TYR A 45 2.645 -2.797 -1.966 1.00 32.12 C ATOM 187 CZ TYR A 45 1.649 -2.825 -2.922 1.00 44.31 C ATOM 188 OH TYR A 45 0.752 -3.870 -2.952 1.00 42.41 O ATOM 0 H TYR A 45 2.664 2.082 -3.790 1.00 22.12 H new ATOM 0 HA TYR A 45 3.587 1.368 -1.073 1.00 41.44 H new ATOM 0 HB2 TYR A 45 4.691 0.743 -3.833 1.00 50.42 H new ATOM 0 HB3 TYR A 45 5.336 0.149 -2.315 1.00 50.42 H new ATOM 0 HD1 TYR A 45 2.362 0.027 -4.550 1.00 24.13 H new ATOM 0 HD2 TYR A 45 4.311 -1.722 -1.185 1.00 15.50 H new ATOM 0 HE1 TYR A 45 0.763 -1.832 -4.596 1.00 33.32 H new ATOM 0 HE2 TYR A 45 2.726 -3.596 -1.244 1.00 32.12 H new ATOM 0 HH TYR A 45 0.403 -3.976 -3.862 1.00 42.41 H new ATOM 198 N VAL A 46 4.892 3.475 -0.867 1.00 11.31 N ATOM 199 CA VAL A 46 5.553 4.774 -0.748 1.00 2.31 C ATOM 200 C VAL A 46 6.713 4.765 0.263 1.00 73.20 C ATOM 201 O VAL A 46 6.764 3.935 1.165 1.00 31.52 O ATOM 202 CB VAL A 46 4.526 5.862 -0.336 1.00 22.21 C ATOM 203 CG1 VAL A 46 3.382 5.948 -1.355 1.00 55.24 C ATOM 204 CG2 VAL A 46 3.978 5.593 1.064 1.00 64.21 C ATOM 0 H VAL A 46 4.489 3.127 0.003 1.00 11.31 H new ATOM 0 HA VAL A 46 5.973 4.999 -1.729 1.00 2.31 H new ATOM 0 HB VAL A 46 5.043 6.821 -0.321 1.00 22.21 H new ATOM 0 HG11 VAL A 46 2.675 6.717 -1.044 1.00 55.24 H new ATOM 0 HG12 VAL A 46 3.786 6.201 -2.335 1.00 55.24 H new ATOM 0 HG13 VAL A 46 2.871 4.987 -1.410 1.00 55.24 H new ATOM 0 HG21 VAL A 46 3.260 6.369 1.329 1.00 64.21 H new ATOM 0 HG22 VAL A 46 3.484 4.621 1.081 1.00 64.21 H new ATOM 0 HG23 VAL A 46 4.798 5.596 1.782 1.00 64.21 H new ATOM 214 N ASP A 47 7.652 5.691 0.089 1.00 3.12 N ATOM 215 CA ASP A 47 8.723 5.903 1.065 1.00 30.15 C ATOM 216 C ASP A 47 8.162 6.574 2.336 1.00 13.23 C ATOM 217 O ASP A 47 7.006 6.993 2.366 1.00 61.04 O ATOM 218 CB ASP A 47 9.828 6.767 0.431 1.00 71.21 C ATOM 219 CG ASP A 47 10.909 7.172 1.420 1.00 60.11 C ATOM 220 OD1 ASP A 47 11.739 6.318 1.787 1.00 51.10 O ATOM 221 OD2 ASP A 47 10.913 8.342 1.862 1.00 2.04 O ATOM 0 H ASP A 47 7.695 6.310 -0.721 1.00 3.12 H new ATOM 0 HA ASP A 47 9.149 4.942 1.352 1.00 30.15 H new ATOM 0 HB2 ASP A 47 10.284 6.217 -0.392 1.00 71.21 H new ATOM 0 HB3 ASP A 47 9.380 7.664 0.004 1.00 71.21 H new ATOM 226 N ALA A 48 8.983 6.685 3.379 1.00 65.40 N ATOM 227 CA ALA A 48 8.561 7.317 4.639 1.00 62.31 C ATOM 228 C ALA A 48 8.207 8.811 4.483 1.00 14.55 C ATOM 229 O ALA A 48 7.844 9.471 5.457 1.00 22.32 O ATOM 230 CB ALA A 48 9.637 7.131 5.706 1.00 34.04 C ATOM 0 H ALA A 48 9.945 6.347 3.382 1.00 65.40 H new ATOM 0 HA ALA A 48 7.644 6.816 4.950 1.00 62.31 H new ATOM 0 HB1 ALA A 48 9.314 7.603 6.634 1.00 34.04 H new ATOM 0 HB2 ALA A 48 9.800 6.067 5.877 1.00 34.04 H new ATOM 0 HB3 ALA A 48 10.566 7.591 5.370 1.00 34.04 H new ATOM 236 N ASP A 49 8.326 9.342 3.269 1.00 53.32 N ATOM 237 CA ASP A 49 7.882 10.709 2.977 1.00 31.24 C ATOM 238 C ASP A 49 6.420 10.722 2.490 1.00 2.12 C ATOM 239 O ASP A 49 5.736 11.745 2.551 1.00 14.33 O ATOM 240 CB ASP A 49 8.799 11.339 1.923 1.00 63.42 C ATOM 241 CG ASP A 49 8.432 12.785 1.634 1.00 40.24 C ATOM 242 OD1 ASP A 49 8.522 13.622 2.562 1.00 63.24 O ATOM 243 OD2 ASP A 49 8.044 13.090 0.490 1.00 25.22 O ATOM 0 H ASP A 49 8.725 8.850 2.470 1.00 53.32 H new ATOM 0 HA ASP A 49 7.936 11.294 3.895 1.00 31.24 H new ATOM 0 HB2 ASP A 49 9.832 11.290 2.267 1.00 63.42 H new ATOM 0 HB3 ASP A 49 8.742 10.760 1.001 1.00 63.42 H new ATOM 248 N GLY A 50 5.949 9.571 2.019 1.00 61.00 N ATOM 249 CA GLY A 50 4.593 9.466 1.487 1.00 11.15 C ATOM 250 C GLY A 50 4.549 9.422 -0.038 1.00 32.44 C ATOM 251 O GLY A 50 3.476 9.319 -0.630 1.00 53.40 O ATOM 0 H GLY A 50 6.482 8.702 1.994 1.00 61.00 H new ATOM 0 HA2 GLY A 50 4.122 8.567 1.884 1.00 11.15 H new ATOM 0 HA3 GLY A 50 4.005 10.315 1.837 1.00 11.15 H new ATOM 255 N ALA A 51 5.719 9.486 -0.670 1.00 65.10 N ATOM 256 CA ALA A 51 5.820 9.436 -2.140 1.00 4.04 C ATOM 257 C ALA A 51 6.072 8.003 -2.625 1.00 42.03 C ATOM 258 O ALA A 51 6.984 7.331 -2.138 1.00 41.33 O ATOM 259 CB ALA A 51 6.931 10.361 -2.617 1.00 53.40 C ATOM 0 H ALA A 51 6.616 9.573 -0.192 1.00 65.10 H new ATOM 0 HA ALA A 51 4.873 9.772 -2.562 1.00 4.04 H new ATOM 0 HB1 ALA A 51 6.999 10.318 -3.704 1.00 53.40 H new ATOM 0 HB2 ALA A 51 6.712 11.383 -2.307 1.00 53.40 H new ATOM 0 HB3 ALA A 51 7.879 10.045 -2.182 1.00 53.40 H new ATOM 265 N GLU A 52 5.268 7.532 -3.585 1.00 23.42 N ATOM 266 CA GLU A 52 5.344 6.134 -4.025 1.00 33.13 C ATOM 267 C GLU A 52 6.630 5.853 -4.811 1.00 62.14 C ATOM 268 O GLU A 52 7.031 6.609 -5.695 1.00 22.21 O ATOM 269 CB GLU A 52 4.097 5.733 -4.832 1.00 24.23 C ATOM 270 CG GLU A 52 3.991 6.433 -6.165 1.00 14.22 C ATOM 271 CD GLU A 52 2.714 6.103 -6.930 1.00 71.21 C ATOM 272 OE1 GLU A 52 2.681 5.071 -7.635 1.00 31.40 O ATOM 273 OE2 GLU A 52 1.739 6.881 -6.844 1.00 72.10 O ATOM 0 H GLU A 52 4.565 8.091 -4.068 1.00 23.42 H new ATOM 0 HA GLU A 52 5.373 5.515 -3.128 1.00 33.13 H new ATOM 0 HB2 GLU A 52 4.112 4.656 -4.997 1.00 24.23 H new ATOM 0 HB3 GLU A 52 3.207 5.953 -4.243 1.00 24.23 H new ATOM 0 HG2 GLU A 52 4.040 7.510 -6.005 1.00 14.22 H new ATOM 0 HG3 GLU A 52 4.851 6.162 -6.777 1.00 14.22 H new ATOM 280 N ILE A 53 7.266 4.752 -4.459 1.00 24.52 N ATOM 281 CA ILE A 53 8.567 4.369 -5.006 1.00 61.02 C ATOM 282 C ILE A 53 8.457 3.161 -5.939 1.00 1.22 C ATOM 283 O ILE A 53 9.466 2.647 -6.426 1.00 10.51 O ATOM 284 CB ILE A 53 9.521 4.006 -3.849 1.00 2.13 C ATOM 285 CG1 ILE A 53 8.869 2.914 -2.978 1.00 72.25 C ATOM 286 CG2 ILE A 53 9.860 5.247 -3.022 1.00 43.40 C ATOM 287 CD1 ILE A 53 9.679 2.513 -1.772 1.00 74.11 C ATOM 0 H ILE A 53 6.896 4.088 -3.779 1.00 24.52 H new ATOM 0 HA ILE A 53 8.948 5.216 -5.577 1.00 61.02 H new ATOM 0 HB ILE A 53 10.456 3.620 -4.255 1.00 2.13 H new ATOM 0 HG12 ILE A 53 7.893 3.267 -2.644 1.00 72.25 H new ATOM 0 HG13 ILE A 53 8.695 2.031 -3.593 1.00 72.25 H new ATOM 0 HG21 ILE A 53 10.534 4.971 -2.211 1.00 43.40 H new ATOM 0 HG22 ILE A 53 10.343 5.988 -3.659 1.00 43.40 H new ATOM 0 HG23 ILE A 53 8.945 5.668 -2.606 1.00 43.40 H new ATOM 0 HD11 ILE A 53 9.147 1.741 -1.216 1.00 74.11 H new ATOM 0 HD12 ILE A 53 10.646 2.126 -2.095 1.00 74.11 H new ATOM 0 HD13 ILE A 53 9.831 3.381 -1.131 1.00 74.11 H new ATOM 299 N ALA A 54 7.232 2.720 -6.200 1.00 75.33 N ATOM 300 CA ALA A 54 7.013 1.470 -6.939 1.00 74.11 C ATOM 301 C ALA A 54 5.629 1.439 -7.604 1.00 43.34 C ATOM 302 O ALA A 54 4.735 2.191 -7.210 1.00 4.14 O ATOM 303 CB ALA A 54 7.175 0.272 -5.998 1.00 4.14 C ATOM 0 H ALA A 54 6.378 3.200 -5.916 1.00 75.33 H new ATOM 0 HA ALA A 54 7.760 1.413 -7.730 1.00 74.11 H new ATOM 0 HB1 ALA A 54 7.011 -0.652 -6.553 1.00 4.14 H new ATOM 0 HB2 ALA A 54 8.182 0.271 -5.581 1.00 4.14 H new ATOM 0 HB3 ALA A 54 6.447 0.343 -5.190 1.00 4.14 H new ATOM 309 N PRO A 55 5.435 0.589 -8.638 1.00 20.32 N ATOM 310 CA PRO A 55 4.119 0.414 -9.276 1.00 20.13 C ATOM 311 C PRO A 55 3.005 0.105 -8.271 1.00 43.32 C ATOM 312 O PRO A 55 3.041 -0.903 -7.559 1.00 35.41 O ATOM 313 CB PRO A 55 4.331 -0.772 -10.220 1.00 23.24 C ATOM 314 CG PRO A 55 5.784 -0.735 -10.536 1.00 33.12 C ATOM 315 CD PRO A 55 6.469 -0.243 -9.285 1.00 51.11 C ATOM 0 HA PRO A 55 3.795 1.326 -9.778 1.00 20.13 H new ATOM 0 HB2 PRO A 55 4.051 -1.713 -9.746 1.00 23.24 H new ATOM 0 HB3 PRO A 55 3.725 -0.676 -11.121 1.00 23.24 H new ATOM 0 HG2 PRO A 55 6.148 -1.723 -10.817 1.00 33.12 H new ATOM 0 HG3 PRO A 55 5.984 -0.071 -11.377 1.00 33.12 H new ATOM 0 HD2 PRO A 55 6.780 -1.069 -8.645 1.00 51.11 H new ATOM 0 HD3 PRO A 55 7.364 0.335 -9.517 1.00 51.11 H new ATOM 323 N SER A 56 2.020 0.981 -8.227 1.00 33.00 N ATOM 324 CA SER A 56 0.897 0.850 -7.291 1.00 74.30 C ATOM 325 C SER A 56 -0.169 -0.115 -7.824 1.00 54.40 C ATOM 326 O SER A 56 -0.205 -0.418 -9.017 1.00 34.10 O ATOM 327 CB SER A 56 0.272 2.223 -7.027 1.00 1.01 C ATOM 328 OG SER A 56 1.144 3.059 -6.275 1.00 31.34 O ATOM 0 H SER A 56 1.966 1.802 -8.830 1.00 33.00 H new ATOM 0 HA SER A 56 1.285 0.441 -6.358 1.00 74.30 H new ATOM 0 HB2 SER A 56 0.034 2.704 -7.976 1.00 1.01 H new ATOM 0 HB3 SER A 56 -0.668 2.098 -6.489 1.00 1.01 H new ATOM 0 HG SER A 56 1.595 3.687 -6.877 1.00 31.34 H new ATOM 334 N ASP A 57 -1.037 -0.594 -6.936 1.00 52.33 N ATOM 335 CA ASP A 57 -2.097 -1.541 -7.313 1.00 43.34 C ATOM 336 C ASP A 57 -3.492 -0.914 -7.202 1.00 31.42 C ATOM 337 O ASP A 57 -3.687 0.104 -6.537 1.00 62.02 O ATOM 338 CB ASP A 57 -2.024 -2.801 -6.438 1.00 34.31 C ATOM 339 CG ASP A 57 -0.777 -3.627 -6.707 1.00 14.11 C ATOM 340 OD1 ASP A 57 -0.537 -3.979 -7.880 1.00 15.22 O ATOM 341 OD2 ASP A 57 -0.029 -3.926 -5.754 1.00 12.31 O ATOM 0 H ASP A 57 -1.031 -0.344 -5.947 1.00 52.33 H new ATOM 0 HA ASP A 57 -1.933 -1.811 -8.356 1.00 43.34 H new ATOM 0 HB2 ASP A 57 -2.044 -2.511 -5.387 1.00 34.31 H new ATOM 0 HB3 ASP A 57 -2.907 -3.414 -6.616 1.00 34.31 H new ATOM 346 N THR A 58 -4.460 -1.537 -7.869 1.00 34.42 N ATOM 347 CA THR A 58 -5.865 -1.123 -7.789 1.00 61.22 C ATOM 348 C THR A 58 -6.765 -2.336 -7.523 1.00 45.35 C ATOM 349 O THR A 58 -6.930 -3.203 -8.385 1.00 2.21 O ATOM 350 CB THR A 58 -6.334 -0.425 -9.089 1.00 31.20 C ATOM 351 OG1 THR A 58 -5.495 0.707 -9.378 1.00 14.31 O ATOM 352 CG2 THR A 58 -7.788 0.031 -8.972 1.00 53.30 C ATOM 0 H THR A 58 -4.298 -2.339 -8.478 1.00 34.42 H new ATOM 0 HA THR A 58 -5.943 -0.412 -6.966 1.00 61.22 H new ATOM 0 HB THR A 58 -6.260 -1.147 -9.902 1.00 31.20 H new ATOM 0 HG1 THR A 58 -5.801 1.139 -10.203 1.00 14.31 H new ATOM 0 HG21 THR A 58 -8.092 0.518 -9.898 1.00 53.30 H new ATOM 0 HG22 THR A 58 -8.427 -0.833 -8.790 1.00 53.30 H new ATOM 0 HG23 THR A 58 -7.883 0.734 -8.144 1.00 53.30 H new ATOM 360 N LEU A 59 -7.327 -2.400 -6.322 1.00 32.43 N ATOM 361 CA LEU A 59 -8.171 -3.527 -5.910 1.00 35.40 C ATOM 362 C LEU A 59 -9.664 -3.170 -5.963 1.00 62.33 C ATOM 363 O LEU A 59 -10.127 -2.298 -5.232 1.00 25.13 O ATOM 364 CB LEU A 59 -7.800 -3.966 -4.485 1.00 32.54 C ATOM 365 CG LEU A 59 -6.339 -4.405 -4.287 1.00 4.52 C ATOM 366 CD1 LEU A 59 -6.071 -4.766 -2.825 1.00 55.11 C ATOM 367 CD2 LEU A 59 -6.002 -5.578 -5.204 1.00 34.11 C ATOM 0 H LEU A 59 -7.215 -1.681 -5.607 1.00 32.43 H new ATOM 0 HA LEU A 59 -7.994 -4.344 -6.609 1.00 35.40 H new ATOM 0 HB2 LEU A 59 -8.009 -3.141 -3.803 1.00 32.54 H new ATOM 0 HB3 LEU A 59 -8.451 -4.791 -4.196 1.00 32.54 H new ATOM 0 HG LEU A 59 -5.694 -3.567 -4.551 1.00 4.52 H new ATOM 0 HD11 LEU A 59 -5.031 -5.073 -2.711 1.00 55.11 H new ATOM 0 HD12 LEU A 59 -6.264 -3.898 -2.195 1.00 55.11 H new ATOM 0 HD13 LEU A 59 -6.726 -5.584 -2.526 1.00 55.11 H new ATOM 0 HD21 LEU A 59 -4.964 -5.874 -5.049 1.00 34.11 H new ATOM 0 HD22 LEU A 59 -6.657 -6.419 -4.975 1.00 34.11 H new ATOM 0 HD23 LEU A 59 -6.143 -5.280 -6.243 1.00 34.11 H new ATOM 379 N THR A 60 -10.409 -3.837 -6.843 1.00 64.24 N ATOM 380 CA THR A 60 -11.874 -3.685 -6.896 1.00 53.41 C ATOM 381 C THR A 60 -12.570 -4.810 -6.116 1.00 51.32 C ATOM 382 O THR A 60 -13.790 -4.799 -5.939 1.00 4.50 O ATOM 383 CB THR A 60 -12.409 -3.666 -8.354 1.00 42.33 C ATOM 384 OG1 THR A 60 -13.838 -3.491 -8.367 1.00 35.44 O ATOM 385 CG2 THR A 60 -12.049 -4.950 -9.095 1.00 65.41 C ATOM 0 H THR A 60 -10.029 -4.488 -7.530 1.00 64.24 H new ATOM 0 HA THR A 60 -12.103 -2.724 -6.435 1.00 53.41 H new ATOM 0 HB THR A 60 -11.936 -2.826 -8.863 1.00 42.33 H new ATOM 0 HG1 THR A 60 -14.228 -3.925 -7.579 1.00 35.44 H new ATOM 0 HG21 THR A 60 -12.438 -4.904 -10.112 1.00 65.41 H new ATOM 0 HG22 THR A 60 -10.965 -5.061 -9.126 1.00 65.41 H new ATOM 0 HG23 THR A 60 -12.486 -5.804 -8.577 1.00 65.41 H new ATOM 393 N ASP A 61 -11.775 -5.783 -5.666 1.00 15.43 N ATOM 394 CA ASP A 61 -12.251 -6.889 -4.830 1.00 40.42 C ATOM 395 C ASP A 61 -12.917 -6.383 -3.539 1.00 74.33 C ATOM 396 O ASP A 61 -12.388 -5.495 -2.869 1.00 64.53 O ATOM 397 CB ASP A 61 -11.064 -7.796 -4.478 1.00 31.11 C ATOM 398 CG ASP A 61 -10.502 -8.506 -5.695 1.00 45.54 C ATOM 399 OD1 ASP A 61 -9.944 -7.824 -6.580 1.00 11.11 O ATOM 400 OD2 ASP A 61 -10.623 -9.747 -5.778 1.00 65.33 O ATOM 0 H ASP A 61 -10.777 -5.827 -5.872 1.00 15.43 H new ATOM 0 HA ASP A 61 -13.002 -7.445 -5.392 1.00 40.42 H new ATOM 0 HB2 ASP A 61 -10.279 -7.199 -4.013 1.00 31.11 H new ATOM 0 HB3 ASP A 61 -11.380 -8.536 -3.742 1.00 31.11 H new ATOM 405 N TYR A 62 -14.073 -6.960 -3.187 1.00 31.11 N ATOM 406 CA TYR A 62 -14.788 -6.580 -1.959 1.00 3.00 C ATOM 407 C TYR A 62 -13.860 -6.635 -0.737 1.00 40.40 C ATOM 408 O TYR A 62 -13.898 -5.757 0.118 1.00 22.01 O ATOM 409 CB TYR A 62 -16.007 -7.483 -1.731 1.00 2.21 C ATOM 410 CG TYR A 62 -16.740 -7.195 -0.431 1.00 11.23 C ATOM 411 CD1 TYR A 62 -17.520 -6.049 -0.287 1.00 10.24 C ATOM 412 CD2 TYR A 62 -16.644 -8.061 0.656 1.00 62.34 C ATOM 413 CE1 TYR A 62 -18.180 -5.780 0.896 1.00 75.42 C ATOM 414 CE2 TYR A 62 -17.301 -7.796 1.841 1.00 73.53 C ATOM 415 CZ TYR A 62 -18.068 -6.656 1.955 1.00 13.22 C ATOM 416 OH TYR A 62 -18.725 -6.391 3.134 1.00 42.23 O ATOM 0 H TYR A 62 -14.533 -7.689 -3.732 1.00 31.11 H new ATOM 0 HA TYR A 62 -15.132 -5.554 -2.086 1.00 3.00 H new ATOM 0 HB2 TYR A 62 -16.700 -7.362 -2.564 1.00 2.21 H new ATOM 0 HB3 TYR A 62 -15.684 -8.524 -1.734 1.00 2.21 H new ATOM 0 HD1 TYR A 62 -17.610 -5.360 -1.114 1.00 10.24 H new ATOM 0 HD2 TYR A 62 -16.045 -8.956 0.570 1.00 62.34 H new ATOM 0 HE1 TYR A 62 -18.781 -4.888 0.991 1.00 75.42 H new ATOM 0 HE2 TYR A 62 -17.215 -8.478 2.674 1.00 73.53 H new ATOM 0 HH TYR A 62 -18.543 -7.107 3.778 1.00 42.23 H new ATOM 426 N HIS A 63 -13.048 -7.680 -0.645 1.00 2.44 N ATOM 427 CA HIS A 63 -11.998 -7.742 0.373 1.00 34.21 C ATOM 428 C HIS A 63 -10.673 -7.225 -0.191 1.00 25.22 C ATOM 429 O HIS A 63 -9.945 -7.957 -0.866 1.00 31.32 O ATOM 430 CB HIS A 63 -11.821 -9.172 0.899 1.00 60.32 C ATOM 431 CG HIS A 63 -12.861 -9.589 1.883 1.00 70.05 C ATOM 432 ND1 HIS A 63 -13.451 -10.830 1.872 1.00 20.31 N ATOM 433 CD2 HIS A 63 -13.385 -8.936 2.945 1.00 51.50 C ATOM 434 CE1 HIS A 63 -14.296 -10.923 2.876 1.00 43.05 C ATOM 435 NE2 HIS A 63 -14.276 -9.788 3.546 1.00 60.13 N ATOM 0 H HIS A 63 -13.093 -8.494 -1.258 1.00 2.44 H new ATOM 0 HA HIS A 63 -12.302 -7.106 1.204 1.00 34.21 H new ATOM 0 HB2 HIS A 63 -11.835 -9.863 0.056 1.00 60.32 H new ATOM 0 HB3 HIS A 63 -10.839 -9.258 1.365 1.00 60.32 H new ATOM 0 HD2 HIS A 63 -13.146 -7.931 3.261 1.00 51.50 H new ATOM 0 HE1 HIS A 63 -14.904 -11.784 3.112 1.00 43.05 H new ATOM 0 HE2 HIS A 63 -14.832 -9.578 4.375 1.00 60.13 H new ATOM 444 N TYR A 64 -10.366 -5.960 0.072 1.00 60.25 N ATOM 445 CA TYR A 64 -9.106 -5.383 -0.388 1.00 43.32 C ATOM 446 C TYR A 64 -7.965 -5.769 0.569 1.00 21.10 C ATOM 447 O TYR A 64 -7.709 -5.109 1.573 1.00 72.10 O ATOM 448 CB TYR A 64 -9.219 -3.850 -0.555 1.00 5.24 C ATOM 449 CG TYR A 64 -9.463 -3.064 0.727 1.00 33.05 C ATOM 450 CD1 TYR A 64 -10.718 -3.031 1.325 1.00 42.31 C ATOM 451 CD2 TYR A 64 -8.435 -2.343 1.330 1.00 23.14 C ATOM 452 CE1 TYR A 64 -10.938 -2.311 2.483 1.00 43.43 C ATOM 453 CE2 TYR A 64 -8.651 -1.620 2.485 1.00 63.21 C ATOM 454 CZ TYR A 64 -9.903 -1.608 3.059 1.00 1.02 C ATOM 455 OH TYR A 64 -10.120 -0.887 4.215 1.00 53.24 O ATOM 0 H TYR A 64 -10.963 -5.320 0.595 1.00 60.25 H new ATOM 0 HA TYR A 64 -8.876 -5.793 -1.371 1.00 43.32 H new ATOM 0 HB2 TYR A 64 -8.301 -3.484 -1.015 1.00 5.24 H new ATOM 0 HB3 TYR A 64 -10.031 -3.637 -1.250 1.00 5.24 H new ATOM 0 HD1 TYR A 64 -11.534 -3.578 0.876 1.00 42.31 H new ATOM 0 HD2 TYR A 64 -7.451 -2.350 0.885 1.00 23.14 H new ATOM 0 HE1 TYR A 64 -11.919 -2.299 2.935 1.00 43.43 H new ATOM 0 HE2 TYR A 64 -7.842 -1.066 2.937 1.00 63.21 H new ATOM 0 HH TYR A 64 -9.294 -0.856 4.741 1.00 53.24 H new ATOM 465 N VAL A 65 -7.319 -6.890 0.279 1.00 24.33 N ATOM 466 CA VAL A 65 -6.195 -7.363 1.089 1.00 33.42 C ATOM 467 C VAL A 65 -4.872 -7.145 0.339 1.00 12.21 C ATOM 468 O VAL A 65 -4.596 -7.813 -0.659 1.00 42.13 O ATOM 469 CB VAL A 65 -6.365 -8.863 1.449 1.00 72.43 C ATOM 470 CG1 VAL A 65 -5.240 -9.340 2.367 1.00 73.22 C ATOM 471 CG2 VAL A 65 -7.739 -9.115 2.086 1.00 44.22 C ATOM 0 H VAL A 65 -7.551 -7.492 -0.511 1.00 24.33 H new ATOM 0 HA VAL A 65 -6.176 -6.789 2.015 1.00 33.42 H new ATOM 0 HB VAL A 65 -6.307 -9.440 0.526 1.00 72.43 H new ATOM 0 HG11 VAL A 65 -5.385 -10.394 2.603 1.00 73.22 H new ATOM 0 HG12 VAL A 65 -4.281 -9.209 1.866 1.00 73.22 H new ATOM 0 HG13 VAL A 65 -5.251 -8.758 3.288 1.00 73.22 H new ATOM 0 HG21 VAL A 65 -7.838 -10.173 2.331 1.00 44.22 H new ATOM 0 HG22 VAL A 65 -7.833 -8.522 2.995 1.00 44.22 H new ATOM 0 HG23 VAL A 65 -8.523 -8.830 1.384 1.00 44.22 H new ATOM 481 N SER A 66 -4.061 -6.206 0.818 1.00 52.51 N ATOM 482 CA SER A 66 -2.820 -5.819 0.126 1.00 74.32 C ATOM 483 C SER A 66 -1.597 -6.629 0.593 1.00 63.20 C ATOM 484 O SER A 66 -1.670 -7.410 1.546 1.00 31.33 O ATOM 485 CB SER A 66 -2.563 -4.318 0.317 1.00 52.55 C ATOM 486 OG SER A 66 -2.579 -3.961 1.689 1.00 52.31 O ATOM 0 H SER A 66 -4.235 -5.694 1.683 1.00 52.51 H new ATOM 0 HA SER A 66 -2.960 -6.042 -0.932 1.00 74.32 H new ATOM 0 HB2 SER A 66 -1.599 -4.054 -0.118 1.00 52.55 H new ATOM 0 HB3 SER A 66 -3.321 -3.746 -0.218 1.00 52.55 H new ATOM 0 HG SER A 66 -1.693 -4.117 2.078 1.00 52.31 H new ATOM 492 N THR A 67 -0.469 -6.435 -0.100 1.00 62.45 N ATOM 493 CA THR A 67 0.776 -7.179 0.181 1.00 43.13 C ATOM 494 C THR A 67 2.016 -6.289 -0.003 1.00 12.23 C ATOM 495 O THR A 67 2.119 -5.575 -0.996 1.00 1.01 O ATOM 496 CB THR A 67 0.939 -8.395 -0.767 1.00 33.32 C ATOM 497 OG1 THR A 67 0.951 -7.952 -2.135 1.00 22.42 O ATOM 498 CG2 THR A 67 -0.174 -9.418 -0.565 1.00 55.03 C ATOM 0 H THR A 67 -0.388 -5.766 -0.865 1.00 62.45 H new ATOM 0 HA THR A 67 0.699 -7.514 1.215 1.00 43.13 H new ATOM 0 HB THR A 67 1.887 -8.878 -0.529 1.00 33.32 H new ATOM 0 HG1 THR A 67 1.388 -7.077 -2.192 1.00 22.42 H new ATOM 0 HG21 THR A 67 -0.026 -10.256 -1.246 1.00 55.03 H new ATOM 0 HG22 THR A 67 -0.154 -9.779 0.463 1.00 55.03 H new ATOM 0 HG23 THR A 67 -1.138 -8.951 -0.767 1.00 55.03 H new ATOM 506 N PRO A 68 2.989 -6.334 0.930 1.00 12.32 N ATOM 507 CA PRO A 68 4.243 -5.576 0.785 1.00 54.20 C ATOM 508 C PRO A 68 5.154 -6.159 -0.313 1.00 60.01 C ATOM 509 O PRO A 68 5.619 -7.299 -0.214 1.00 40.20 O ATOM 510 CB PRO A 68 4.902 -5.700 2.168 1.00 63.24 C ATOM 511 CG PRO A 68 4.345 -6.960 2.745 1.00 14.42 C ATOM 512 CD PRO A 68 2.948 -7.108 2.187 1.00 62.11 C ATOM 0 HA PRO A 68 4.065 -4.544 0.482 1.00 54.20 H new ATOM 0 HB2 PRO A 68 5.988 -5.749 2.086 1.00 63.24 H new ATOM 0 HB3 PRO A 68 4.668 -4.840 2.796 1.00 63.24 H new ATOM 0 HG2 PRO A 68 4.963 -7.816 2.475 1.00 14.42 H new ATOM 0 HG3 PRO A 68 4.325 -6.912 3.834 1.00 14.42 H new ATOM 0 HD2 PRO A 68 2.698 -8.153 2.006 1.00 62.11 H new ATOM 0 HD3 PRO A 68 2.199 -6.716 2.874 1.00 62.11 H new ATOM 520 N LYS A 69 5.396 -5.376 -1.364 1.00 52.24 N ATOM 521 CA LYS A 69 6.236 -5.822 -2.485 1.00 44.15 C ATOM 522 C LYS A 69 7.726 -5.816 -2.116 1.00 12.15 C ATOM 523 O LYS A 69 8.161 -5.070 -1.236 1.00 51.21 O ATOM 524 CB LYS A 69 6.013 -4.933 -3.720 1.00 64.25 C ATOM 525 CG LYS A 69 4.598 -4.993 -4.295 1.00 23.12 C ATOM 526 CD LYS A 69 4.477 -4.146 -5.563 1.00 50.21 C ATOM 527 CE LYS A 69 3.041 -4.065 -6.070 1.00 40.41 C ATOM 528 NZ LYS A 69 2.481 -5.395 -6.431 1.00 10.14 N ATOM 0 H LYS A 69 5.025 -4.431 -1.466 1.00 52.24 H new ATOM 0 HA LYS A 69 5.942 -6.846 -2.716 1.00 44.15 H new ATOM 0 HB2 LYS A 69 6.241 -3.901 -3.455 1.00 64.25 H new ATOM 0 HB3 LYS A 69 6.720 -5.226 -4.496 1.00 64.25 H new ATOM 0 HG2 LYS A 69 4.338 -6.027 -4.520 1.00 23.12 H new ATOM 0 HG3 LYS A 69 3.885 -4.640 -3.550 1.00 23.12 H new ATOM 0 HD2 LYS A 69 4.846 -3.140 -5.362 1.00 50.21 H new ATOM 0 HD3 LYS A 69 5.112 -4.569 -6.342 1.00 50.21 H new ATOM 0 HE2 LYS A 69 2.415 -3.608 -5.303 1.00 40.41 H new ATOM 0 HE3 LYS A 69 3.005 -3.412 -6.942 1.00 40.41 H new ATOM 0 HZ1 LYS A 69 1.498 -5.282 -6.753 1.00 10.14 H new ATOM 0 HZ2 LYS A 69 3.049 -5.815 -7.194 1.00 10.14 H new ATOM 0 HZ3 LYS A 69 2.503 -6.019 -5.599 1.00 10.14 H new ATOM 542 N ASP A 70 8.500 -6.664 -2.791 1.00 32.02 N ATOM 543 CA ASP A 70 9.954 -6.702 -2.620 1.00 11.30 C ATOM 544 C ASP A 70 10.621 -5.588 -3.446 1.00 64.41 C ATOM 545 O ASP A 70 10.792 -5.714 -4.664 1.00 2.31 O ATOM 546 CB ASP A 70 10.485 -8.082 -3.035 1.00 1.10 C ATOM 547 CG ASP A 70 11.984 -8.225 -2.839 1.00 72.42 C ATOM 548 OD1 ASP A 70 12.420 -8.411 -1.683 1.00 62.53 O ATOM 549 OD2 ASP A 70 12.729 -8.170 -3.842 1.00 1.24 O ATOM 0 H ASP A 70 8.142 -7.339 -3.467 1.00 32.02 H new ATOM 0 HA ASP A 70 10.197 -6.533 -1.571 1.00 11.30 H new ATOM 0 HB2 ASP A 70 9.974 -8.851 -2.456 1.00 1.10 H new ATOM 0 HB3 ASP A 70 10.243 -8.258 -4.083 1.00 1.10 H new ATOM 554 N ILE A 71 10.965 -4.483 -2.785 1.00 1.15 N ATOM 555 CA ILE A 71 11.554 -3.322 -3.465 1.00 54.41 C ATOM 556 C ILE A 71 13.079 -3.265 -3.260 1.00 12.44 C ATOM 557 O ILE A 71 13.555 -3.043 -2.143 1.00 31.22 O ATOM 558 CB ILE A 71 10.918 -1.992 -2.970 1.00 33.40 C ATOM 559 CG1 ILE A 71 9.390 -2.038 -3.149 1.00 3.13 C ATOM 560 CG2 ILE A 71 11.515 -0.792 -3.713 1.00 43.55 C ATOM 561 CD1 ILE A 71 8.675 -0.780 -2.699 1.00 72.44 C ATOM 0 H ILE A 71 10.847 -4.364 -1.779 1.00 1.15 H new ATOM 0 HA ILE A 71 11.344 -3.440 -4.528 1.00 54.41 H new ATOM 0 HB ILE A 71 11.142 -1.874 -1.910 1.00 33.40 H new ATOM 0 HG12 ILE A 71 9.164 -2.215 -4.200 1.00 3.13 H new ATOM 0 HG13 ILE A 71 8.995 -2.887 -2.591 1.00 3.13 H new ATOM 0 HG21 ILE A 71 11.055 0.127 -3.350 1.00 43.55 H new ATOM 0 HG22 ILE A 71 12.590 -0.753 -3.537 1.00 43.55 H new ATOM 0 HG23 ILE A 71 11.326 -0.895 -4.782 1.00 43.55 H new ATOM 0 HD11 ILE A 71 7.603 -0.894 -2.859 1.00 72.44 H new ATOM 0 HD12 ILE A 71 8.868 -0.611 -1.640 1.00 72.44 H new ATOM 0 HD13 ILE A 71 9.039 0.071 -3.275 1.00 72.44 H new ATOM 573 N PRO A 72 13.869 -3.457 -4.339 1.00 35.34 N ATOM 574 CA PRO A 72 15.341 -3.443 -4.259 1.00 34.45 C ATOM 575 C PRO A 72 15.903 -2.121 -3.708 1.00 43.42 C ATOM 576 O PRO A 72 16.030 -1.133 -4.435 1.00 52.43 O ATOM 577 CB PRO A 72 15.788 -3.653 -5.716 1.00 45.43 C ATOM 578 CG PRO A 72 14.615 -4.276 -6.394 1.00 32.23 C ATOM 579 CD PRO A 72 13.399 -3.701 -5.718 1.00 34.45 C ATOM 0 HA PRO A 72 15.707 -4.205 -3.571 1.00 34.45 H new ATOM 0 HB2 PRO A 72 16.059 -2.708 -6.186 1.00 45.43 H new ATOM 0 HB3 PRO A 72 16.664 -4.299 -5.771 1.00 45.43 H new ATOM 0 HG2 PRO A 72 14.614 -4.050 -7.460 1.00 32.23 H new ATOM 0 HG3 PRO A 72 14.639 -5.362 -6.299 1.00 32.23 H new ATOM 0 HD2 PRO A 72 13.067 -2.781 -6.200 1.00 34.45 H new ATOM 0 HD3 PRO A 72 12.559 -4.395 -5.741 1.00 34.45 H new ATOM 587 N GLY A 73 16.218 -2.105 -2.411 1.00 51.44 N ATOM 588 CA GLY A 73 16.819 -0.928 -1.791 1.00 23.43 C ATOM 589 C GLY A 73 15.888 -0.182 -0.834 1.00 33.33 C ATOM 590 O GLY A 73 16.248 0.879 -0.325 1.00 53.13 O ATOM 0 H GLY A 73 16.067 -2.889 -1.776 1.00 51.44 H new ATOM 0 HA2 GLY A 73 17.713 -1.234 -1.247 1.00 23.43 H new ATOM 0 HA3 GLY A 73 17.142 -0.243 -2.575 1.00 23.43 H new ATOM 594 N TYR A 74 14.692 -0.720 -0.585 1.00 34.52 N ATOM 595 CA TYR A 74 13.759 -0.111 0.378 1.00 31.03 C ATOM 596 C TYR A 74 13.262 -1.107 1.442 1.00 31.52 C ATOM 597 O TYR A 74 13.011 -2.281 1.161 1.00 52.22 O ATOM 598 CB TYR A 74 12.575 0.537 -0.347 1.00 5.32 C ATOM 599 CG TYR A 74 12.886 1.929 -0.859 1.00 64.52 C ATOM 600 CD1 TYR A 74 13.597 2.124 -2.037 1.00 45.12 C ATOM 601 CD2 TYR A 74 12.471 3.053 -0.151 1.00 2.33 C ATOM 602 CE1 TYR A 74 13.882 3.395 -2.495 1.00 42.14 C ATOM 603 CE2 TYR A 74 12.750 4.325 -0.603 1.00 13.20 C ATOM 604 CZ TYR A 74 13.456 4.492 -1.777 1.00 54.11 C ATOM 605 OH TYR A 74 13.738 5.763 -2.230 1.00 21.34 O ATOM 0 H TYR A 74 14.345 -1.569 -1.031 1.00 34.52 H new ATOM 0 HA TYR A 74 14.319 0.661 0.906 1.00 31.03 H new ATOM 0 HB2 TYR A 74 12.279 -0.095 -1.184 1.00 5.32 H new ATOM 0 HB3 TYR A 74 11.723 0.587 0.332 1.00 5.32 H new ATOM 0 HD1 TYR A 74 13.932 1.268 -2.603 1.00 45.12 H new ATOM 0 HD2 TYR A 74 11.920 2.926 0.769 1.00 2.33 H new ATOM 0 HE1 TYR A 74 14.436 3.529 -3.412 1.00 42.14 H new ATOM 0 HE2 TYR A 74 12.418 5.186 -0.042 1.00 13.20 H new ATOM 0 HH TYR A 74 13.366 6.422 -1.608 1.00 21.34 H new ATOM 615 N LYS A 75 13.122 -0.598 2.665 1.00 52.02 N ATOM 616 CA LYS A 75 12.769 -1.397 3.846 1.00 35.34 C ATOM 617 C LYS A 75 11.396 -0.990 4.419 1.00 4.04 C ATOM 618 O LYS A 75 11.213 0.145 4.843 1.00 1.01 O ATOM 619 CB LYS A 75 13.858 -1.164 4.903 1.00 35.31 C ATOM 620 CG LYS A 75 13.666 -1.922 6.206 1.00 54.11 C ATOM 621 CD LYS A 75 13.910 -3.418 6.045 1.00 52.13 C ATOM 622 CE LYS A 75 14.019 -4.095 7.401 1.00 73.14 C ATOM 623 NZ LYS A 75 14.235 -5.558 7.287 1.00 63.11 N ATOM 0 H LYS A 75 13.251 0.393 2.870 1.00 52.02 H new ATOM 0 HA LYS A 75 12.704 -2.448 3.566 1.00 35.34 H new ATOM 0 HB2 LYS A 75 14.822 -1.444 4.477 1.00 35.31 H new ATOM 0 HB3 LYS A 75 13.905 -0.098 5.125 1.00 35.31 H new ATOM 0 HG2 LYS A 75 14.346 -1.524 6.959 1.00 54.11 H new ATOM 0 HG3 LYS A 75 12.653 -1.759 6.573 1.00 54.11 H new ATOM 0 HD2 LYS A 75 13.096 -3.865 5.475 1.00 52.13 H new ATOM 0 HD3 LYS A 75 14.825 -3.583 5.476 1.00 52.13 H new ATOM 0 HE2 LYS A 75 14.843 -3.651 7.960 1.00 73.14 H new ATOM 0 HE3 LYS A 75 13.109 -3.908 7.971 1.00 73.14 H new ATOM 0 HZ1 LYS A 75 14.303 -5.974 8.238 1.00 63.11 H new ATOM 0 HZ2 LYS A 75 13.437 -5.988 6.777 1.00 63.11 H new ATOM 0 HZ3 LYS A 75 15.117 -5.739 6.766 1.00 63.11 H new ATOM 637 N LEU A 76 10.433 -1.910 4.437 1.00 61.03 N ATOM 638 CA LEU A 76 9.104 -1.613 4.990 1.00 0.13 C ATOM 639 C LEU A 76 9.169 -1.331 6.503 1.00 54.51 C ATOM 640 O LEU A 76 9.643 -2.164 7.279 1.00 74.25 O ATOM 641 CB LEU A 76 8.147 -2.780 4.730 1.00 73.35 C ATOM 642 CG LEU A 76 6.693 -2.539 5.170 1.00 44.44 C ATOM 643 CD1 LEU A 76 6.035 -1.463 4.306 1.00 43.12 C ATOM 644 CD2 LEU A 76 5.898 -3.837 5.124 1.00 72.43 C ATOM 0 H LEU A 76 10.542 -2.859 4.080 1.00 61.03 H new ATOM 0 HA LEU A 76 8.735 -0.717 4.490 1.00 0.13 H new ATOM 0 HB2 LEU A 76 8.155 -3.006 3.664 1.00 73.35 H new ATOM 0 HB3 LEU A 76 8.525 -3.662 5.246 1.00 73.35 H new ATOM 0 HG LEU A 76 6.701 -2.182 6.200 1.00 44.44 H new ATOM 0 HD11 LEU A 76 5.007 -1.310 4.636 1.00 43.12 H new ATOM 0 HD12 LEU A 76 6.590 -0.530 4.402 1.00 43.12 H new ATOM 0 HD13 LEU A 76 6.038 -1.781 3.264 1.00 43.12 H new ATOM 0 HD21 LEU A 76 4.872 -3.647 5.439 1.00 72.43 H new ATOM 0 HD22 LEU A 76 5.899 -4.228 4.107 1.00 72.43 H new ATOM 0 HD23 LEU A 76 6.353 -4.566 5.794 1.00 72.43 H new ATOM 656 N ARG A 77 8.688 -0.156 6.918 1.00 23.03 N ATOM 657 CA ARG A 77 8.711 0.230 8.337 1.00 54.53 C ATOM 658 C ARG A 77 7.378 -0.084 9.045 1.00 23.43 C ATOM 659 O ARG A 77 7.359 -0.343 10.250 1.00 75.33 O ATOM 660 CB ARG A 77 9.084 1.721 8.482 1.00 51.50 C ATOM 661 CG ARG A 77 8.047 2.718 7.949 1.00 63.32 C ATOM 662 CD ARG A 77 7.074 3.195 9.030 1.00 60.31 C ATOM 663 NE ARG A 77 7.744 3.931 10.104 1.00 65.50 N ATOM 664 CZ ARG A 77 7.186 4.893 10.797 1.00 43.35 C ATOM 665 NH1 ARG A 77 5.966 5.251 10.577 1.00 75.11 N ATOM 666 NH2 ARG A 77 7.860 5.491 11.721 1.00 32.31 N ATOM 0 H ARG A 77 8.279 0.543 6.298 1.00 23.03 H new ATOM 0 HA ARG A 77 9.476 -0.369 8.830 1.00 54.53 H new ATOM 0 HB2 ARG A 77 9.257 1.933 9.537 1.00 51.50 H new ATOM 0 HB3 ARG A 77 10.027 1.893 7.964 1.00 51.50 H new ATOM 0 HG2 ARG A 77 8.562 3.580 7.525 1.00 63.32 H new ATOM 0 HG3 ARG A 77 7.484 2.253 7.140 1.00 63.32 H new ATOM 0 HD2 ARG A 77 6.316 3.833 8.576 1.00 60.31 H new ATOM 0 HD3 ARG A 77 6.555 2.334 9.453 1.00 60.31 H new ATOM 0 HE ARG A 77 8.707 3.679 10.327 1.00 65.50 H new ATOM 0 HH11 ARG A 77 5.420 4.783 9.854 1.00 75.11 H new ATOM 0 HH12 ARG A 77 5.548 6.002 11.126 1.00 75.11 H new ATOM 0 HH21 ARG A 77 8.823 5.214 11.910 1.00 32.31 H new ATOM 0 HH22 ARG A 77 7.429 6.240 12.263 1.00 32.31 H new ATOM 680 N GLU A 78 6.267 -0.065 8.299 1.00 60.52 N ATOM 681 CA GLU A 78 4.950 -0.400 8.872 1.00 0.52 C ATOM 682 C GLU A 78 3.948 -0.833 7.790 1.00 3.04 C ATOM 683 O GLU A 78 4.057 -0.439 6.627 1.00 54.21 O ATOM 684 CB GLU A 78 4.360 0.799 9.643 1.00 75.51 C ATOM 685 CG GLU A 78 3.757 1.886 8.749 1.00 34.31 C ATOM 686 CD GLU A 78 3.195 3.062 9.536 1.00 64.02 C ATOM 687 OE1 GLU A 78 2.150 2.890 10.207 1.00 35.14 O ATOM 688 OE2 GLU A 78 3.799 4.153 9.495 1.00 51.41 O ATOM 0 H GLU A 78 6.248 0.175 7.308 1.00 60.52 H new ATOM 0 HA GLU A 78 5.113 -1.233 9.556 1.00 0.52 H new ATOM 0 HB2 GLU A 78 3.590 0.435 10.323 1.00 75.51 H new ATOM 0 HB3 GLU A 78 5.144 1.243 10.257 1.00 75.51 H new ATOM 0 HG2 GLU A 78 4.521 2.248 8.062 1.00 34.31 H new ATOM 0 HG3 GLU A 78 2.963 1.450 8.142 1.00 34.31 H new ATOM 695 N ILE A 79 2.976 -1.649 8.189 1.00 31.54 N ATOM 696 CA ILE A 79 1.835 -1.990 7.336 1.00 62.32 C ATOM 697 C ILE A 79 0.620 -1.128 7.724 1.00 74.41 C ATOM 698 O ILE A 79 0.201 -1.132 8.885 1.00 42.24 O ATOM 699 CB ILE A 79 1.473 -3.494 7.455 1.00 44.11 C ATOM 700 CG1 ILE A 79 2.650 -4.358 6.979 1.00 2.21 C ATOM 701 CG2 ILE A 79 0.208 -3.817 6.661 1.00 72.44 C ATOM 702 CD1 ILE A 79 2.408 -5.849 7.092 1.00 23.01 C ATOM 0 H ILE A 79 2.954 -2.092 9.108 1.00 31.54 H new ATOM 0 HA ILE A 79 2.112 -1.789 6.301 1.00 62.32 H new ATOM 0 HB ILE A 79 1.274 -3.720 8.503 1.00 44.11 H new ATOM 0 HG12 ILE A 79 2.869 -4.114 5.939 1.00 2.21 H new ATOM 0 HG13 ILE A 79 3.535 -4.099 7.560 1.00 2.21 H new ATOM 0 HG21 ILE A 79 -0.024 -4.877 6.761 1.00 72.44 H new ATOM 0 HG22 ILE A 79 -0.623 -3.226 7.045 1.00 72.44 H new ATOM 0 HG23 ILE A 79 0.368 -3.578 5.610 1.00 72.44 H new ATOM 0 HD11 ILE A 79 3.286 -6.388 6.736 1.00 23.01 H new ATOM 0 HD12 ILE A 79 2.220 -6.109 8.134 1.00 23.01 H new ATOM 0 HD13 ILE A 79 1.544 -6.124 6.488 1.00 23.01 H new ATOM 714 N PRO A 80 0.045 -0.376 6.763 1.00 41.23 N ATOM 715 CA PRO A 80 -1.036 0.596 7.037 1.00 71.12 C ATOM 716 C PRO A 80 -2.236 -0.004 7.791 1.00 50.01 C ATOM 717 O PRO A 80 -2.572 -1.182 7.629 1.00 21.53 O ATOM 718 CB PRO A 80 -1.462 1.075 5.635 1.00 43.31 C ATOM 719 CG PRO A 80 -0.884 0.074 4.690 1.00 55.24 C ATOM 720 CD PRO A 80 0.385 -0.410 5.334 1.00 44.53 C ATOM 0 HA PRO A 80 -0.684 1.393 7.692 1.00 71.12 H new ATOM 0 HB2 PRO A 80 -2.547 1.120 5.547 1.00 43.31 H new ATOM 0 HB3 PRO A 80 -1.084 2.076 5.429 1.00 43.31 H new ATOM 0 HG2 PRO A 80 -1.577 -0.751 4.522 1.00 55.24 H new ATOM 0 HG3 PRO A 80 -0.682 0.524 3.718 1.00 55.24 H new ATOM 0 HD2 PRO A 80 0.651 -1.414 5.003 1.00 44.53 H new ATOM 0 HD3 PRO A 80 1.231 0.237 5.102 1.00 44.53 H new ATOM 728 N HIS A 81 -2.891 0.828 8.604 1.00 62.50 N ATOM 729 CA HIS A 81 -4.041 0.399 9.416 1.00 53.02 C ATOM 730 C HIS A 81 -5.190 -0.155 8.550 1.00 21.04 C ATOM 731 O HIS A 81 -6.042 -0.895 9.036 1.00 33.13 O ATOM 732 CB HIS A 81 -4.552 1.573 10.268 1.00 61.11 C ATOM 733 CG HIS A 81 -5.189 2.681 9.477 1.00 31.02 C ATOM 734 ND1 HIS A 81 -6.454 3.158 9.738 1.00 75.43 N ATOM 735 CD2 HIS A 81 -4.728 3.412 8.434 1.00 61.54 C ATOM 736 CE1 HIS A 81 -6.744 4.124 8.892 1.00 74.42 C ATOM 737 NE2 HIS A 81 -5.716 4.300 8.088 1.00 44.22 N ATOM 0 H HIS A 81 -2.645 1.811 8.720 1.00 62.50 H new ATOM 0 HA HIS A 81 -3.698 -0.407 10.064 1.00 53.02 H new ATOM 0 HB2 HIS A 81 -5.276 1.195 10.989 1.00 61.11 H new ATOM 0 HB3 HIS A 81 -3.718 1.983 10.838 1.00 61.11 H new ATOM 0 HD2 HIS A 81 -3.762 3.314 7.962 1.00 61.54 H new ATOM 0 HE1 HIS A 81 -7.670 4.679 8.862 1.00 74.42 H new ATOM 0 HE2 HIS A 81 -5.663 4.983 7.333 1.00 44.22 H new ATOM 746 N ASN A 82 -5.205 0.215 7.271 1.00 74.50 N ATOM 747 CA ASN A 82 -6.270 -0.203 6.348 1.00 44.22 C ATOM 748 C ASN A 82 -5.725 -1.083 5.208 1.00 33.43 C ATOM 749 O ASN A 82 -6.163 -0.975 4.067 1.00 52.03 O ATOM 750 CB ASN A 82 -6.965 1.041 5.776 1.00 73.42 C ATOM 751 CG ASN A 82 -6.000 1.967 5.058 1.00 2.23 C ATOM 752 OD1 ASN A 82 -5.416 2.854 5.658 1.00 61.12 O ATOM 753 ND2 ASN A 82 -5.816 1.761 3.770 1.00 53.13 N ATOM 0 H ASN A 82 -4.491 0.806 6.845 1.00 74.50 H new ATOM 0 HA ASN A 82 -6.989 -0.804 6.905 1.00 44.22 H new ATOM 0 HB2 ASN A 82 -7.748 0.730 5.084 1.00 73.42 H new ATOM 0 HB3 ASN A 82 -7.452 1.585 6.585 1.00 73.42 H new ATOM 0 HD21 ASN A 82 -5.170 2.352 3.246 1.00 53.13 H new ATOM 0 HD22 ASN A 82 -6.319 1.011 3.296 1.00 53.13 H new ATOM 760 N ALA A 83 -4.782 -1.966 5.526 1.00 44.25 N ATOM 761 CA ALA A 83 -4.192 -2.863 4.522 1.00 65.45 C ATOM 762 C ALA A 83 -5.054 -4.116 4.297 1.00 23.21 C ATOM 763 O ALA A 83 -4.878 -4.839 3.315 1.00 60.13 O ATOM 764 CB ALA A 83 -2.784 -3.262 4.942 1.00 41.03 C ATOM 0 H ALA A 83 -4.407 -2.084 6.467 1.00 44.25 H new ATOM 0 HA ALA A 83 -4.149 -2.320 3.578 1.00 65.45 H new ATOM 0 HB1 ALA A 83 -2.355 -3.927 4.192 1.00 41.03 H new ATOM 0 HB2 ALA A 83 -2.165 -2.370 5.033 1.00 41.03 H new ATOM 0 HB3 ALA A 83 -2.823 -3.776 5.902 1.00 41.03 H new ATOM 770 N THR A 84 -5.976 -4.374 5.224 1.00 73.42 N ATOM 771 CA THR A 84 -6.850 -5.553 5.156 1.00 75.42 C ATOM 772 C THR A 84 -8.277 -5.206 5.595 1.00 34.55 C ATOM 773 O THR A 84 -8.477 -4.627 6.661 1.00 15.45 O ATOM 774 CB THR A 84 -6.333 -6.697 6.067 1.00 14.41 C ATOM 775 OG1 THR A 84 -6.246 -6.240 7.431 1.00 41.44 O ATOM 776 CG2 THR A 84 -4.965 -7.202 5.612 1.00 24.40 C ATOM 0 H THR A 84 -6.140 -3.780 6.037 1.00 73.42 H new ATOM 0 HA THR A 84 -6.847 -5.882 4.117 1.00 75.42 H new ATOM 0 HB THR A 84 -7.042 -7.522 5.997 1.00 14.41 H new ATOM 0 HG1 THR A 84 -6.955 -5.585 7.602 1.00 41.44 H new ATOM 0 HG21 THR A 84 -4.634 -8.003 6.273 1.00 24.40 H new ATOM 0 HG22 THR A 84 -5.037 -7.580 4.592 1.00 24.40 H new ATOM 0 HG23 THR A 84 -4.246 -6.384 5.645 1.00 24.40 H new ATOM 784 N GLY A 85 -9.264 -5.572 4.781 1.00 70.12 N ATOM 785 CA GLY A 85 -10.656 -5.317 5.138 1.00 74.12 C ATOM 786 C GLY A 85 -11.605 -5.388 3.947 1.00 23.23 C ATOM 787 O GLY A 85 -11.231 -5.852 2.868 1.00 42.44 O ATOM 0 H GLY A 85 -9.129 -6.039 3.884 1.00 70.12 H new ATOM 0 HA2 GLY A 85 -10.970 -6.042 5.888 1.00 74.12 H new ATOM 0 HA3 GLY A 85 -10.732 -4.331 5.596 1.00 74.12 H new ATOM 791 N ASN A 86 -12.840 -4.932 4.143 1.00 55.41 N ATOM 792 CA ASN A 86 -13.843 -4.918 3.076 1.00 34.45 C ATOM 793 C ASN A 86 -14.126 -3.489 2.589 1.00 1.54 C ATOM 794 O ASN A 86 -14.165 -2.543 3.379 1.00 12.41 O ATOM 795 CB ASN A 86 -15.142 -5.578 3.558 1.00 54.31 C ATOM 796 CG ASN A 86 -15.722 -4.924 4.803 1.00 14.12 C ATOM 797 OD1 ASN A 86 -15.000 -4.389 5.637 1.00 34.02 O ATOM 798 ND2 ASN A 86 -17.031 -4.964 4.943 1.00 14.23 N ATOM 0 H ASN A 86 -13.173 -4.565 5.035 1.00 55.41 H new ATOM 0 HA ASN A 86 -13.443 -5.486 2.236 1.00 34.45 H new ATOM 0 HB2 ASN A 86 -15.881 -5.538 2.757 1.00 54.31 H new ATOM 0 HB3 ASN A 86 -14.952 -6.631 3.764 1.00 54.31 H new ATOM 0 HD21 ASN A 86 -17.469 -4.543 5.762 1.00 14.23 H new ATOM 0 HD22 ASN A 86 -17.606 -5.416 4.232 1.00 14.23 H new ATOM 805 N ILE A 87 -14.308 -3.334 1.279 1.00 51.52 N ATOM 806 CA ILE A 87 -14.653 -2.038 0.699 1.00 32.25 C ATOM 807 C ILE A 87 -16.023 -1.568 1.209 1.00 2.25 C ATOM 808 O ILE A 87 -17.071 -1.962 0.690 1.00 71.35 O ATOM 809 CB ILE A 87 -14.670 -2.079 -0.852 1.00 54.14 C ATOM 810 CG1 ILE A 87 -13.290 -2.492 -1.393 1.00 22.12 C ATOM 811 CG2 ILE A 87 -15.096 -0.724 -1.426 1.00 74.42 C ATOM 812 CD1 ILE A 87 -13.205 -2.512 -2.908 1.00 22.32 C ATOM 0 H ILE A 87 -14.222 -4.090 0.599 1.00 51.52 H new ATOM 0 HA ILE A 87 -13.881 -1.335 1.012 1.00 32.25 H new ATOM 0 HB ILE A 87 -15.400 -2.824 -1.169 1.00 54.14 H new ATOM 0 HG12 ILE A 87 -12.538 -1.805 -1.006 1.00 22.12 H new ATOM 0 HG13 ILE A 87 -13.043 -3.483 -1.012 1.00 22.12 H new ATOM 0 HG21 ILE A 87 -15.101 -0.775 -2.515 1.00 74.42 H new ATOM 0 HG22 ILE A 87 -16.096 -0.476 -1.070 1.00 74.42 H new ATOM 0 HG23 ILE A 87 -14.395 0.045 -1.102 1.00 74.42 H new ATOM 0 HD11 ILE A 87 -12.202 -2.812 -3.212 1.00 22.32 H new ATOM 0 HD12 ILE A 87 -13.932 -3.221 -3.304 1.00 22.32 H new ATOM 0 HD13 ILE A 87 -13.420 -1.517 -3.298 1.00 22.32 H new ATOM 824 N THR A 88 -16.004 -0.748 2.249 1.00 75.33 N ATOM 825 CA THR A 88 -17.237 -0.219 2.835 1.00 3.11 C ATOM 826 C THR A 88 -17.538 1.197 2.332 1.00 63.42 C ATOM 827 O THR A 88 -18.600 1.753 2.614 1.00 13.43 O ATOM 828 CB THR A 88 -17.165 -0.222 4.379 1.00 42.33 C ATOM 829 OG1 THR A 88 -16.069 0.591 4.830 1.00 70.34 O ATOM 830 CG2 THR A 88 -16.998 -1.650 4.904 1.00 4.12 C ATOM 0 H THR A 88 -15.150 -0.431 2.708 1.00 75.33 H new ATOM 0 HA THR A 88 -18.048 -0.875 2.518 1.00 3.11 H new ATOM 0 HB THR A 88 -18.097 0.191 4.765 1.00 42.33 H new ATOM 0 HG1 THR A 88 -16.036 0.582 5.809 1.00 70.34 H new ATOM 0 HG21 THR A 88 -16.949 -1.634 5.993 1.00 4.12 H new ATOM 0 HG22 THR A 88 -17.847 -2.256 4.588 1.00 4.12 H new ATOM 0 HG23 THR A 88 -16.078 -2.079 4.506 1.00 4.12 H new ATOM 838 N ASP A 89 -16.599 1.772 1.580 1.00 13.15 N ATOM 839 CA ASP A 89 -16.792 3.089 0.967 1.00 53.12 C ATOM 840 C ASP A 89 -15.841 3.274 -0.236 1.00 62.13 C ATOM 841 O ASP A 89 -14.928 2.473 -0.443 1.00 13.41 O ATOM 842 CB ASP A 89 -16.585 4.193 2.012 1.00 20.34 C ATOM 843 CG ASP A 89 -17.296 5.480 1.634 1.00 24.12 C ATOM 844 OD1 ASP A 89 -18.541 5.466 1.547 1.00 31.35 O ATOM 845 OD2 ASP A 89 -16.623 6.503 1.420 1.00 4.52 O ATOM 0 H ASP A 89 -15.694 1.346 1.380 1.00 13.15 H new ATOM 0 HA ASP A 89 -17.814 3.158 0.595 1.00 53.12 H new ATOM 0 HB2 ASP A 89 -16.950 3.849 2.979 1.00 20.34 H new ATOM 0 HB3 ASP A 89 -15.519 4.389 2.125 1.00 20.34 H new ATOM 850 N THR A 90 -16.059 4.325 -1.029 1.00 3.24 N ATOM 851 CA THR A 90 -15.256 4.565 -2.244 1.00 1.53 C ATOM 852 C THR A 90 -14.052 5.477 -1.973 1.00 54.33 C ATOM 853 O THR A 90 -14.057 6.266 -1.031 1.00 0.45 O ATOM 854 CB THR A 90 -16.107 5.189 -3.384 1.00 24.30 C ATOM 855 OG1 THR A 90 -15.292 5.434 -4.543 1.00 70.01 O ATOM 856 CG2 THR A 90 -16.769 6.491 -2.941 1.00 12.54 C ATOM 0 H THR A 90 -16.781 5.025 -0.858 1.00 3.24 H new ATOM 0 HA THR A 90 -14.895 3.585 -2.557 1.00 1.53 H new ATOM 0 HB THR A 90 -16.890 4.474 -3.635 1.00 24.30 H new ATOM 0 HG1 THR A 90 -15.306 6.390 -4.756 1.00 70.01 H new ATOM 0 HG21 THR A 90 -17.356 6.899 -3.764 1.00 12.54 H new ATOM 0 HG22 THR A 90 -17.423 6.296 -2.091 1.00 12.54 H new ATOM 0 HG23 THR A 90 -16.002 7.209 -2.652 1.00 12.54 H new ATOM 864 N GLY A 91 -13.022 5.360 -2.811 1.00 3.15 N ATOM 865 CA GLY A 91 -11.828 6.191 -2.665 1.00 43.42 C ATOM 866 C GLY A 91 -10.965 5.811 -1.464 1.00 62.20 C ATOM 867 O GLY A 91 -10.577 6.671 -0.669 1.00 12.13 O ATOM 0 H GLY A 91 -12.990 4.704 -3.591 1.00 3.15 H new ATOM 0 HA2 GLY A 91 -11.228 6.114 -3.572 1.00 43.42 H new ATOM 0 HA3 GLY A 91 -12.130 7.234 -2.570 1.00 43.42 H new ATOM 871 N ILE A 92 -10.669 4.522 -1.325 1.00 74.00 N ATOM 872 CA ILE A 92 -9.779 4.041 -0.264 1.00 15.44 C ATOM 873 C ILE A 92 -8.355 3.838 -0.802 1.00 1.14 C ATOM 874 O ILE A 92 -8.161 3.294 -1.891 1.00 35.15 O ATOM 875 CB ILE A 92 -10.289 2.709 0.346 1.00 45.42 C ATOM 876 CG1 ILE A 92 -11.690 2.898 0.957 1.00 32.13 C ATOM 877 CG2 ILE A 92 -9.306 2.179 1.397 1.00 21.22 C ATOM 878 CD1 ILE A 92 -12.294 1.626 1.515 1.00 4.24 C ATOM 0 H ILE A 92 -11.031 3.788 -1.933 1.00 74.00 H new ATOM 0 HA ILE A 92 -9.769 4.801 0.517 1.00 15.44 H new ATOM 0 HB ILE A 92 -10.359 1.971 -0.453 1.00 45.42 H new ATOM 0 HG12 ILE A 92 -11.631 3.640 1.753 1.00 32.13 H new ATOM 0 HG13 ILE A 92 -12.357 3.301 0.195 1.00 32.13 H new ATOM 0 HG21 ILE A 92 -9.685 1.244 1.811 1.00 21.22 H new ATOM 0 HG22 ILE A 92 -8.336 2.003 0.932 1.00 21.22 H new ATOM 0 HG23 ILE A 92 -9.198 2.912 2.196 1.00 21.22 H new ATOM 0 HD11 ILE A 92 -13.280 1.842 1.927 1.00 4.24 H new ATOM 0 HD12 ILE A 92 -12.387 0.888 0.719 1.00 4.24 H new ATOM 0 HD13 ILE A 92 -11.650 1.232 2.302 1.00 4.24 H new ATOM 890 N ILE A 93 -7.361 4.290 -0.046 1.00 64.41 N ATOM 891 CA ILE A 93 -5.960 4.141 -0.448 1.00 23.44 C ATOM 892 C ILE A 93 -5.134 3.431 0.637 1.00 11.13 C ATOM 893 O ILE A 93 -5.209 3.769 1.822 1.00 22.22 O ATOM 894 CB ILE A 93 -5.320 5.514 -0.784 1.00 63.44 C ATOM 895 CG1 ILE A 93 -6.051 6.162 -1.978 1.00 64.02 C ATOM 896 CG2 ILE A 93 -3.826 5.361 -1.082 1.00 4.13 C ATOM 897 CD1 ILE A 93 -5.470 7.490 -2.419 1.00 43.31 C ATOM 0 H ILE A 93 -7.495 4.763 0.848 1.00 64.41 H new ATOM 0 HA ILE A 93 -5.952 3.524 -1.346 1.00 23.44 H new ATOM 0 HB ILE A 93 -5.423 6.166 0.084 1.00 63.44 H new ATOM 0 HG12 ILE A 93 -6.029 5.471 -2.821 1.00 64.02 H new ATOM 0 HG13 ILE A 93 -7.098 6.307 -1.712 1.00 64.02 H new ATOM 0 HG21 ILE A 93 -3.400 6.337 -1.315 1.00 4.13 H new ATOM 0 HG22 ILE A 93 -3.322 4.943 -0.210 1.00 4.13 H new ATOM 0 HG23 ILE A 93 -3.691 4.694 -1.933 1.00 4.13 H new ATOM 0 HD11 ILE A 93 -6.043 7.876 -3.262 1.00 43.31 H new ATOM 0 HD12 ILE A 93 -5.517 8.200 -1.593 1.00 43.31 H new ATOM 0 HD13 ILE A 93 -4.431 7.351 -2.719 1.00 43.31 H new ATOM 909 N VAL A 94 -4.353 2.438 0.221 1.00 63.52 N ATOM 910 CA VAL A 94 -3.504 1.671 1.137 1.00 30.43 C ATOM 911 C VAL A 94 -2.022 2.021 0.921 1.00 52.11 C ATOM 912 O VAL A 94 -1.441 1.691 -0.109 1.00 12.22 O ATOM 913 CB VAL A 94 -3.710 0.150 0.939 1.00 50.53 C ATOM 914 CG1 VAL A 94 -2.852 -0.649 1.915 1.00 23.44 C ATOM 915 CG2 VAL A 94 -5.186 -0.221 1.082 1.00 23.30 C ATOM 0 H VAL A 94 -4.288 2.141 -0.753 1.00 63.52 H new ATOM 0 HA VAL A 94 -3.790 1.935 2.155 1.00 30.43 H new ATOM 0 HB VAL A 94 -3.393 -0.104 -0.072 1.00 50.53 H new ATOM 0 HG11 VAL A 94 -3.015 -1.715 1.755 1.00 23.44 H new ATOM 0 HG12 VAL A 94 -1.800 -0.415 1.751 1.00 23.44 H new ATOM 0 HG13 VAL A 94 -3.126 -0.389 2.937 1.00 23.44 H new ATOM 0 HG21 VAL A 94 -5.307 -1.295 0.939 1.00 23.30 H new ATOM 0 HG22 VAL A 94 -5.536 0.054 2.077 1.00 23.30 H new ATOM 0 HG23 VAL A 94 -5.770 0.313 0.332 1.00 23.30 H new ATOM 925 N ARG A 95 -1.415 2.691 1.897 1.00 54.21 N ATOM 926 CA ARG A 95 -0.024 3.165 1.768 1.00 31.15 C ATOM 927 C ARG A 95 0.966 2.363 2.621 1.00 11.31 C ATOM 928 O ARG A 95 0.972 2.456 3.849 1.00 72.44 O ATOM 929 CB ARG A 95 0.078 4.661 2.118 1.00 70.51 C ATOM 930 CG ARG A 95 -0.214 5.572 0.936 1.00 3.00 C ATOM 931 CD ARG A 95 -0.116 7.053 1.295 1.00 25.40 C ATOM 932 NE ARG A 95 -0.454 7.877 0.141 1.00 5.22 N ATOM 933 CZ ARG A 95 -0.278 9.164 0.048 1.00 34.35 C ATOM 934 NH1 ARG A 95 0.235 9.847 1.023 1.00 74.13 N ATOM 935 NH2 ARG A 95 -0.616 9.764 -1.046 1.00 14.11 N ATOM 0 H ARG A 95 -1.856 2.922 2.787 1.00 54.21 H new ATOM 0 HA ARG A 95 0.253 3.013 0.725 1.00 31.15 H new ATOM 0 HB2 ARG A 95 -0.619 4.888 2.925 1.00 70.51 H new ATOM 0 HB3 ARG A 95 1.079 4.873 2.493 1.00 70.51 H new ATOM 0 HG2 ARG A 95 0.486 5.351 0.130 1.00 3.00 H new ATOM 0 HG3 ARG A 95 -1.214 5.360 0.557 1.00 3.00 H new ATOM 0 HD2 ARG A 95 -0.790 7.279 2.122 1.00 25.40 H new ATOM 0 HD3 ARG A 95 0.894 7.286 1.634 1.00 25.40 H new ATOM 0 HE ARG A 95 -0.864 7.404 -0.664 1.00 5.22 H new ATOM 0 HH11 ARG A 95 0.510 9.377 1.885 1.00 74.13 H new ATOM 0 HH12 ARG A 95 0.364 10.854 0.928 1.00 74.13 H new ATOM 0 HH21 ARG A 95 -1.013 9.230 -1.819 1.00 14.11 H new ATOM 0 HH22 ARG A 95 -0.485 10.772 -1.136 1.00 14.11 H new ATOM 949 N TYR A 96 1.807 1.580 1.950 1.00 31.05 N ATOM 950 CA TYR A 96 2.916 0.885 2.608 1.00 42.44 C ATOM 951 C TYR A 96 4.133 1.807 2.716 1.00 31.34 C ATOM 952 O TYR A 96 4.672 2.258 1.708 1.00 0.13 O ATOM 953 CB TYR A 96 3.284 -0.403 1.854 1.00 42.45 C ATOM 954 CG TYR A 96 2.336 -1.550 2.127 1.00 12.05 C ATOM 955 CD1 TYR A 96 1.038 -1.538 1.637 1.00 21.44 C ATOM 956 CD2 TYR A 96 2.740 -2.640 2.892 1.00 30.21 C ATOM 957 CE1 TYR A 96 0.170 -2.577 1.899 1.00 51.34 C ATOM 958 CE2 TYR A 96 1.878 -3.681 3.157 1.00 71.02 C ATOM 959 CZ TYR A 96 0.595 -3.647 2.661 1.00 73.12 C ATOM 960 OH TYR A 96 -0.264 -4.688 2.923 1.00 63.10 O ATOM 0 H TYR A 96 1.743 1.409 0.946 1.00 31.05 H new ATOM 0 HA TYR A 96 2.595 0.609 3.613 1.00 42.44 H new ATOM 0 HB2 TYR A 96 3.296 -0.198 0.784 1.00 42.45 H new ATOM 0 HB3 TYR A 96 4.294 -0.702 2.132 1.00 42.45 H new ATOM 0 HD1 TYR A 96 0.702 -0.702 1.041 1.00 21.44 H new ATOM 0 HD2 TYR A 96 3.746 -2.670 3.284 1.00 30.21 H new ATOM 0 HE1 TYR A 96 -0.837 -2.554 1.510 1.00 51.34 H new ATOM 0 HE2 TYR A 96 2.208 -4.520 3.751 1.00 71.02 H new ATOM 0 HH TYR A 96 0.193 -5.359 3.471 1.00 63.10 H new ATOM 970 N ILE A 97 4.547 2.086 3.947 1.00 53.51 N ATOM 971 CA ILE A 97 5.627 3.041 4.212 1.00 43.24 C ATOM 972 C ILE A 97 6.997 2.341 4.261 1.00 21.43 C ATOM 973 O ILE A 97 7.230 1.475 5.108 1.00 54.14 O ATOM 974 CB ILE A 97 5.383 3.773 5.557 1.00 54.55 C ATOM 975 CG1 ILE A 97 3.925 4.264 5.657 1.00 51.40 C ATOM 976 CG2 ILE A 97 6.351 4.940 5.719 1.00 52.44 C ATOM 977 CD1 ILE A 97 3.514 5.240 4.570 1.00 71.23 C ATOM 0 H ILE A 97 4.150 1.663 4.786 1.00 53.51 H new ATOM 0 HA ILE A 97 5.632 3.762 3.395 1.00 43.24 H new ATOM 0 HB ILE A 97 5.561 3.063 6.365 1.00 54.55 H new ATOM 0 HG12 ILE A 97 3.261 3.400 5.622 1.00 51.40 H new ATOM 0 HG13 ILE A 97 3.780 4.739 6.628 1.00 51.40 H new ATOM 0 HG21 ILE A 97 6.163 5.440 6.669 1.00 52.44 H new ATOM 0 HG22 ILE A 97 7.375 4.568 5.701 1.00 52.44 H new ATOM 0 HG23 ILE A 97 6.208 5.648 4.902 1.00 52.44 H new ATOM 0 HD11 ILE A 97 2.474 5.533 4.718 1.00 71.23 H new ATOM 0 HD12 ILE A 97 4.150 6.124 4.616 1.00 71.23 H new ATOM 0 HD13 ILE A 97 3.622 4.765 3.595 1.00 71.23 H new ATOM 989 N TYR A 98 7.904 2.715 3.355 1.00 4.13 N ATOM 990 CA TYR A 98 9.239 2.109 3.299 1.00 43.21 C ATOM 991 C TYR A 98 10.336 3.072 3.780 1.00 45.44 C ATOM 992 O TYR A 98 10.095 4.255 4.026 1.00 42.42 O ATOM 993 CB TYR A 98 9.565 1.637 1.874 1.00 3.34 C ATOM 994 CG TYR A 98 8.706 0.482 1.381 1.00 71.02 C ATOM 995 CD1 TYR A 98 7.414 0.693 0.907 1.00 52.53 C ATOM 996 CD2 TYR A 98 9.194 -0.821 1.378 1.00 72.34 C ATOM 997 CE1 TYR A 98 6.637 -0.358 0.449 1.00 63.15 C ATOM 998 CE2 TYR A 98 8.425 -1.874 0.921 1.00 30.34 C ATOM 999 CZ TYR A 98 7.147 -1.638 0.458 1.00 34.21 C ATOM 1000 OH TYR A 98 6.379 -2.692 0.001 1.00 13.45 O ATOM 0 H TYR A 98 7.740 3.434 2.650 1.00 4.13 H new ATOM 0 HA TYR A 98 9.220 1.253 3.973 1.00 43.21 H new ATOM 0 HB2 TYR A 98 9.448 2.478 1.190 1.00 3.34 H new ATOM 0 HB3 TYR A 98 10.612 1.337 1.835 1.00 3.34 H new ATOM 0 HD1 TYR A 98 7.010 1.695 0.896 1.00 52.53 H new ATOM 0 HD2 TYR A 98 10.193 -1.013 1.740 1.00 72.34 H new ATOM 0 HE1 TYR A 98 5.636 -0.175 0.087 1.00 63.15 H new ATOM 0 HE2 TYR A 98 8.823 -2.878 0.926 1.00 30.34 H new ATOM 0 HH TYR A 98 6.963 -3.381 -0.380 1.00 13.45 H new ATOM 1010 N ASP A 99 11.540 2.536 3.913 1.00 1.31 N ATOM 1011 CA ASP A 99 12.717 3.302 4.318 1.00 40.23 C ATOM 1012 C ASP A 99 13.858 3.062 3.319 1.00 43.34 C ATOM 1013 O ASP A 99 14.245 1.917 3.081 1.00 4.00 O ATOM 1014 CB ASP A 99 13.143 2.872 5.729 1.00 13.32 C ATOM 1015 CG ASP A 99 14.358 3.625 6.241 1.00 70.42 C ATOM 1016 OD1 ASP A 99 14.201 4.780 6.688 1.00 22.03 O ATOM 1017 OD2 ASP A 99 15.475 3.065 6.209 1.00 1.42 O ATOM 0 H ASP A 99 11.733 1.549 3.742 1.00 1.31 H new ATOM 0 HA ASP A 99 12.479 4.366 4.328 1.00 40.23 H new ATOM 0 HB2 ASP A 99 12.311 3.027 6.416 1.00 13.32 H new ATOM 0 HB3 ASP A 99 13.360 1.804 5.727 1.00 13.32 H new ATOM 1022 N LYS A 100 14.384 4.129 2.719 1.00 70.43 N ATOM 1023 CA LYS A 100 15.452 3.989 1.725 1.00 45.51 C ATOM 1024 C LYS A 100 16.734 3.445 2.363 1.00 22.01 C ATOM 1025 O LYS A 100 17.385 4.125 3.158 1.00 40.32 O ATOM 1026 CB LYS A 100 15.744 5.325 1.043 1.00 33.03 C ATOM 1027 CG LYS A 100 16.552 5.181 -0.244 1.00 14.04 C ATOM 1028 CD LYS A 100 16.680 6.508 -0.971 1.00 71.23 C ATOM 1029 CE LYS A 100 17.482 6.371 -2.263 1.00 34.30 C ATOM 1030 NZ LYS A 100 17.689 7.679 -2.939 1.00 32.04 N ATOM 0 H LYS A 100 14.094 5.090 2.899 1.00 70.43 H new ATOM 0 HA LYS A 100 15.106 3.278 0.975 1.00 45.51 H new ATOM 0 HB2 LYS A 100 14.801 5.824 0.818 1.00 33.03 H new ATOM 0 HB3 LYS A 100 16.288 5.968 1.735 1.00 33.03 H new ATOM 0 HG2 LYS A 100 17.544 4.795 -0.011 1.00 14.04 H new ATOM 0 HG3 LYS A 100 16.072 4.452 -0.897 1.00 14.04 H new ATOM 0 HD2 LYS A 100 15.687 6.895 -1.199 1.00 71.23 H new ATOM 0 HD3 LYS A 100 17.163 7.235 -0.318 1.00 71.23 H new ATOM 0 HE2 LYS A 100 18.450 5.922 -2.041 1.00 34.30 H new ATOM 0 HE3 LYS A 100 16.963 5.692 -2.940 1.00 34.30 H new ATOM 0 HZ1 LYS A 100 18.038 7.519 -3.906 1.00 32.04 H new ATOM 0 HZ2 LYS A 100 16.788 8.196 -2.977 1.00 32.04 H new ATOM 0 HZ3 LYS A 100 18.387 8.238 -2.407 1.00 32.04 H new ATOM 1044 N ILE A 101 17.102 2.227 1.995 1.00 23.30 N ATOM 1045 CA ILE A 101 18.240 1.542 2.610 1.00 11.03 C ATOM 1046 C ILE A 101 19.575 2.082 2.067 1.00 61.41 C ATOM 1047 O ILE A 101 19.814 2.091 0.860 1.00 70.22 O ATOM 1048 CB ILE A 101 18.168 0.010 2.378 1.00 62.15 C ATOM 1049 CG1 ILE A 101 16.800 -0.553 2.813 1.00 2.44 C ATOM 1050 CG2 ILE A 101 19.287 -0.695 3.137 1.00 13.44 C ATOM 1051 CD1 ILE A 101 16.625 -2.029 2.512 1.00 52.45 C ATOM 0 H ILE A 101 16.629 1.687 1.270 1.00 23.30 H new ATOM 0 HA ILE A 101 18.189 1.738 3.681 1.00 11.03 H new ATOM 0 HB ILE A 101 18.291 -0.174 1.311 1.00 62.15 H new ATOM 0 HG12 ILE A 101 16.675 -0.392 3.884 1.00 2.44 H new ATOM 0 HG13 ILE A 101 16.010 0.007 2.312 1.00 2.44 H new ATOM 0 HG21 ILE A 101 19.223 -1.769 2.964 1.00 13.44 H new ATOM 0 HG22 ILE A 101 20.252 -0.328 2.787 1.00 13.44 H new ATOM 0 HG23 ILE A 101 19.187 -0.492 4.203 1.00 13.44 H new ATOM 0 HD11 ILE A 101 15.640 -2.354 2.846 1.00 52.45 H new ATOM 0 HD12 ILE A 101 16.718 -2.195 1.439 1.00 52.45 H new ATOM 0 HD13 ILE A 101 17.392 -2.600 3.035 1.00 52.45 H new ATOM 1063 N ILE A 102 20.446 2.512 2.977 1.00 24.54 N ATOM 1064 CA ILE A 102 21.754 3.094 2.620 1.00 33.01 C ATOM 1065 C ILE A 102 22.784 2.013 2.201 1.00 53.14 C ATOM 1066 O ILE A 102 23.978 2.283 2.070 1.00 2.33 O ATOM 1067 CB ILE A 102 22.312 3.912 3.820 1.00 31.11 C ATOM 1068 CG1 ILE A 102 21.220 4.836 4.391 1.00 61.33 C ATOM 1069 CG2 ILE A 102 23.540 4.736 3.418 1.00 54.31 C ATOM 1070 CD1 ILE A 102 20.692 5.857 3.398 1.00 14.44 C ATOM 0 H ILE A 102 20.273 2.471 3.981 1.00 24.54 H new ATOM 0 HA ILE A 102 21.597 3.747 1.762 1.00 33.01 H new ATOM 0 HB ILE A 102 22.621 3.203 4.588 1.00 31.11 H new ATOM 0 HG12 ILE A 102 20.389 4.225 4.744 1.00 61.33 H new ATOM 0 HG13 ILE A 102 21.620 5.361 5.258 1.00 61.33 H new ATOM 0 HG21 ILE A 102 23.902 5.294 4.281 1.00 54.31 H new ATOM 0 HG22 ILE A 102 24.325 4.069 3.062 1.00 54.31 H new ATOM 0 HG23 ILE A 102 23.267 5.432 2.625 1.00 54.31 H new ATOM 0 HD11 ILE A 102 19.927 6.468 3.877 1.00 14.44 H new ATOM 0 HD12 ILE A 102 21.510 6.495 3.063 1.00 14.44 H new ATOM 0 HD13 ILE A 102 20.260 5.341 2.541 1.00 14.44 H new ATOM 1082 N ASP A 103 22.304 0.802 1.933 1.00 53.41 N ATOM 1083 CA ASP A 103 23.174 -0.338 1.589 1.00 74.53 C ATOM 1084 C ASP A 103 23.759 -0.222 0.163 1.00 30.21 C ATOM 1085 O ASP A 103 24.318 -1.175 -0.379 1.00 43.02 O ATOM 1086 CB ASP A 103 22.363 -1.632 1.748 1.00 64.31 C ATOM 1087 CG ASP A 103 23.204 -2.893 1.631 1.00 13.24 C ATOM 1088 OD1 ASP A 103 24.025 -3.146 2.536 1.00 42.35 O ATOM 1089 OD2 ASP A 103 23.026 -3.651 0.650 1.00 63.50 O ATOM 0 H ASP A 103 21.310 0.575 1.946 1.00 53.41 H new ATOM 0 HA ASP A 103 24.028 -0.344 2.266 1.00 74.53 H new ATOM 0 HB2 ASP A 103 21.868 -1.624 2.719 1.00 64.31 H new ATOM 0 HB3 ASP A 103 21.579 -1.656 0.991 1.00 64.31 H new ATOM 1094 N VAL A 104 23.651 0.963 -0.427 1.00 62.45 N ATOM 1095 CA VAL A 104 24.166 1.221 -1.777 1.00 64.43 C ATOM 1096 C VAL A 104 25.348 2.211 -1.747 1.00 41.41 C ATOM 1097 O VAL A 104 25.600 2.920 -2.726 1.00 60.30 O ATOM 1098 CB VAL A 104 23.046 1.786 -2.689 1.00 14.41 C ATOM 1099 CG1 VAL A 104 21.920 0.770 -2.855 1.00 72.13 C ATOM 1100 CG2 VAL A 104 22.500 3.102 -2.133 1.00 25.21 C ATOM 0 H VAL A 104 23.208 1.771 0.010 1.00 62.45 H new ATOM 0 HA VAL A 104 24.517 0.270 -2.179 1.00 64.43 H new ATOM 0 HB VAL A 104 23.480 1.983 -3.669 1.00 14.41 H new ATOM 0 HG11 VAL A 104 21.145 1.187 -3.498 1.00 72.13 H new ATOM 0 HG12 VAL A 104 22.315 -0.140 -3.306 1.00 72.13 H new ATOM 0 HG13 VAL A 104 21.494 0.536 -1.879 1.00 72.13 H new ATOM 0 HG21 VAL A 104 21.716 3.477 -2.791 1.00 25.21 H new ATOM 0 HG22 VAL A 104 22.089 2.934 -1.138 1.00 25.21 H new ATOM 0 HG23 VAL A 104 23.305 3.834 -2.074 1.00 25.21 H new ATOM 1110 N SER A 105 26.079 2.223 -0.625 1.00 4.34 N ATOM 1111 CA SER A 105 27.152 3.209 -0.372 1.00 53.11 C ATOM 1112 C SER A 105 26.552 4.604 -0.138 1.00 52.20 C ATOM 1113 O SER A 105 26.615 5.140 0.968 1.00 62.34 O ATOM 1114 CB SER A 105 28.177 3.254 -1.523 1.00 30.00 C ATOM 1115 OG SER A 105 28.787 1.988 -1.729 1.00 13.21 O ATOM 0 H SER A 105 25.949 1.554 0.134 1.00 4.34 H new ATOM 0 HA SER A 105 27.682 2.892 0.526 1.00 53.11 H new ATOM 0 HB2 SER A 105 27.682 3.573 -2.440 1.00 30.00 H new ATOM 0 HB3 SER A 105 28.944 3.996 -1.300 1.00 30.00 H new ATOM 0 HG SER A 105 29.430 2.051 -2.466 1.00 13.21 H new ATOM 1121 N TYR A 106 25.994 5.193 -1.200 1.00 24.33 N ATOM 1122 CA TYR A 106 25.155 6.401 -1.103 1.00 3.33 C ATOM 1123 C TYR A 106 25.936 7.653 -0.660 1.00 34.40 C ATOM 1124 O TYR A 106 25.359 8.732 -0.510 1.00 3.32 O ATOM 1125 CB TYR A 106 23.986 6.127 -0.137 1.00 70.11 C ATOM 1126 CG TYR A 106 22.733 6.943 -0.406 1.00 63.10 C ATOM 1127 CD1 TYR A 106 21.912 6.635 -1.481 1.00 35.13 C ATOM 1128 CD2 TYR A 106 22.361 7.999 0.419 1.00 12.14 C ATOM 1129 CE1 TYR A 106 20.760 7.350 -1.730 1.00 43.44 C ATOM 1130 CE2 TYR A 106 21.208 8.724 0.174 1.00 3.14 C ATOM 1131 CZ TYR A 106 20.411 8.395 -0.902 1.00 71.33 C ATOM 1132 OH TYR A 106 19.254 9.104 -1.149 1.00 62.53 O ATOM 0 H TYR A 106 26.109 4.849 -2.153 1.00 24.33 H new ATOM 0 HA TYR A 106 24.781 6.619 -2.103 1.00 3.33 H new ATOM 0 HB2 TYR A 106 23.731 5.068 -0.188 1.00 70.11 H new ATOM 0 HB3 TYR A 106 24.320 6.326 0.881 1.00 70.11 H new ATOM 0 HD1 TYR A 106 22.181 5.819 -2.136 1.00 35.13 H new ATOM 0 HD2 TYR A 106 22.982 8.257 1.264 1.00 12.14 H new ATOM 0 HE1 TYR A 106 20.133 7.092 -2.571 1.00 43.44 H new ATOM 0 HE2 TYR A 106 20.934 9.543 0.822 1.00 3.14 H new ATOM 0 HH TYR A 106 19.151 9.807 -0.474 1.00 62.53 H new ATOM 1142 N VAL A 107 27.245 7.523 -0.482 1.00 64.25 N ATOM 1143 CA VAL A 107 28.068 8.632 0.021 1.00 51.21 C ATOM 1144 C VAL A 107 29.360 8.818 -0.791 1.00 64.55 C ATOM 1145 O VAL A 107 30.169 7.897 -0.924 1.00 25.11 O ATOM 1146 CB VAL A 107 28.448 8.434 1.515 1.00 30.31 C ATOM 1147 CG1 VAL A 107 29.351 9.572 2.001 1.00 53.14 C ATOM 1148 CG2 VAL A 107 27.197 8.327 2.390 1.00 70.13 C ATOM 0 H VAL A 107 27.764 6.667 -0.676 1.00 64.25 H new ATOM 0 HA VAL A 107 27.452 9.525 -0.086 1.00 51.21 H new ATOM 0 HB VAL A 107 29.000 7.498 1.599 1.00 30.31 H new ATOM 0 HG11 VAL A 107 29.605 9.413 3.049 1.00 53.14 H new ATOM 0 HG12 VAL A 107 30.264 9.592 1.406 1.00 53.14 H new ATOM 0 HG13 VAL A 107 28.828 10.522 1.894 1.00 53.14 H new ATOM 0 HG21 VAL A 107 27.491 8.189 3.430 1.00 70.13 H new ATOM 0 HG22 VAL A 107 26.609 9.240 2.297 1.00 70.13 H new ATOM 0 HG23 VAL A 107 26.598 7.476 2.066 1.00 70.13 H new ATOM 1158 N ASP A 108 29.540 10.021 -1.330 1.00 50.44 N ATOM 1159 CA ASP A 108 30.795 10.410 -1.982 1.00 11.24 C ATOM 1160 C ASP A 108 31.210 11.825 -1.555 1.00 30.14 C ATOM 1161 O ASP A 108 32.400 12.134 -1.422 1.00 11.01 O ATOM 1162 CB ASP A 108 30.657 10.323 -3.508 1.00 65.41 C ATOM 1163 CG ASP A 108 31.961 10.631 -4.223 1.00 21.42 C ATOM 1164 OD1 ASP A 108 32.847 9.753 -4.255 1.00 51.31 O ATOM 1165 OD2 ASP A 108 32.114 11.754 -4.743 1.00 20.31 O ATOM 0 H ASP A 108 28.828 10.751 -1.329 1.00 50.44 H new ATOM 0 HA ASP A 108 31.575 9.717 -1.668 1.00 11.24 H new ATOM 0 HB2 ASP A 108 30.321 9.323 -3.784 1.00 65.41 H new ATOM 0 HB3 ASP A 108 29.889 11.021 -3.842 1.00 65.41 H new ATOM 1170 N GLU A 109 30.217 12.673 -1.339 1.00 63.15 N ATOM 1171 CA GLU A 109 30.440 14.038 -0.854 1.00 41.22 C ATOM 1172 C GLU A 109 30.789 14.013 0.646 1.00 35.23 C ATOM 1173 O GLU A 109 31.934 14.248 1.025 1.00 54.30 O ATOM 1174 CB GLU A 109 29.185 14.891 -1.129 1.00 23.14 C ATOM 1175 CG GLU A 109 29.394 16.405 -1.047 1.00 50.41 C ATOM 1176 CD GLU A 109 29.328 16.961 0.367 1.00 11.31 C ATOM 1177 OE1 GLU A 109 28.213 17.061 0.921 1.00 22.53 O ATOM 1178 OE2 GLU A 109 30.383 17.299 0.935 1.00 2.33 O ATOM 0 H GLU A 109 29.235 12.442 -1.492 1.00 63.15 H new ATOM 0 HA GLU A 109 31.281 14.487 -1.383 1.00 41.22 H new ATOM 0 HB2 GLU A 109 28.809 14.646 -2.122 1.00 23.14 H new ATOM 0 HB3 GLU A 109 28.410 14.608 -0.416 1.00 23.14 H new ATOM 0 HG2 GLU A 109 30.364 16.652 -1.479 1.00 50.41 H new ATOM 0 HG3 GLU A 109 28.638 16.900 -1.657 1.00 50.41 H new ATOM 1185 N THR A 110 29.800 13.699 1.487 1.00 44.23 N ATOM 1186 CA THR A 110 30.003 13.537 2.947 1.00 32.23 C ATOM 1187 C THR A 110 28.898 12.669 3.560 1.00 31.10 C ATOM 1188 O THR A 110 27.879 12.398 2.917 1.00 71.31 O ATOM 1189 CB THR A 110 30.022 14.885 3.724 1.00 1.33 C ATOM 1190 OG1 THR A 110 28.909 15.702 3.338 1.00 22.24 O ATOM 1191 CG2 THR A 110 31.329 15.647 3.517 1.00 40.42 C ATOM 0 H THR A 110 28.837 13.548 1.187 1.00 44.23 H new ATOM 0 HA THR A 110 30.980 13.064 3.046 1.00 32.23 H new ATOM 0 HB THR A 110 29.943 14.647 4.785 1.00 1.33 H new ATOM 0 HG1 THR A 110 28.934 16.546 3.836 1.00 22.24 H new ATOM 0 HG21 THR A 110 31.298 16.581 4.077 1.00 40.42 H new ATOM 0 HG22 THR A 110 32.163 15.040 3.869 1.00 40.42 H new ATOM 0 HG23 THR A 110 31.460 15.864 2.457 1.00 40.42 H new ATOM 1199 N GLY A 111 29.099 12.238 4.801 1.00 14.31 N ATOM 1200 CA GLY A 111 28.079 11.471 5.506 1.00 0.52 C ATOM 1201 C GLY A 111 27.009 12.356 6.147 1.00 60.31 C ATOM 1202 O GLY A 111 26.909 13.546 5.842 1.00 24.01 O ATOM 0 H GLY A 111 29.952 12.405 5.335 1.00 14.31 H new ATOM 0 HA2 GLY A 111 27.603 10.781 4.809 1.00 0.52 H new ATOM 0 HA3 GLY A 111 28.555 10.867 6.278 1.00 0.52 H new ATOM 1206 N LYS A 112 26.208 11.772 7.033 1.00 62.31 N ATOM 1207 CA LYS A 112 25.140 12.501 7.727 1.00 21.54 C ATOM 1208 C LYS A 112 24.925 11.907 9.135 1.00 65.15 C ATOM 1209 O LYS A 112 25.687 11.035 9.557 1.00 72.12 O ATOM 1210 CB LYS A 112 23.846 12.436 6.888 1.00 35.23 C ATOM 1211 CG LYS A 112 22.770 13.447 7.291 1.00 24.51 C ATOM 1212 CD LYS A 112 21.554 13.407 6.359 1.00 63.13 C ATOM 1213 CE LYS A 112 21.819 14.065 5.001 1.00 61.44 C ATOM 1214 NZ LYS A 112 22.858 13.360 4.202 1.00 40.33 N ATOM 0 H LYS A 112 26.276 10.788 7.292 1.00 62.31 H new ATOM 0 HA LYS A 112 25.423 13.547 7.845 1.00 21.54 H new ATOM 0 HB2 LYS A 112 24.100 12.595 5.840 1.00 35.23 H new ATOM 0 HB3 LYS A 112 23.429 11.432 6.966 1.00 35.23 H new ATOM 0 HG2 LYS A 112 22.449 13.244 8.313 1.00 24.51 H new ATOM 0 HG3 LYS A 112 23.197 14.450 7.285 1.00 24.51 H new ATOM 0 HD2 LYS A 112 21.257 12.370 6.202 1.00 63.13 H new ATOM 0 HD3 LYS A 112 20.716 13.909 6.842 1.00 63.13 H new ATOM 0 HE2 LYS A 112 20.890 14.095 4.432 1.00 61.44 H new ATOM 0 HE3 LYS A 112 22.130 15.098 5.159 1.00 61.44 H new ATOM 0 HZ1 LYS A 112 22.614 13.412 3.192 1.00 40.33 H new ATOM 0 HZ2 LYS A 112 23.782 13.811 4.358 1.00 40.33 H new ATOM 0 HZ3 LYS A 112 22.905 12.364 4.496 1.00 40.33 H new ATOM 1228 N ASP A 113 23.913 12.382 9.863 1.00 22.11 N ATOM 1229 CA ASP A 113 23.624 11.880 11.213 1.00 32.35 C ATOM 1230 C ASP A 113 23.318 10.367 11.216 1.00 14.23 C ATOM 1231 O ASP A 113 22.165 9.945 11.071 1.00 55.43 O ATOM 1232 CB ASP A 113 22.458 12.658 11.824 1.00 60.35 C ATOM 1233 CG ASP A 113 22.694 14.154 11.787 1.00 11.32 C ATOM 1234 OD1 ASP A 113 22.362 14.786 10.762 1.00 43.01 O ATOM 1235 OD2 ASP A 113 23.221 14.704 12.772 1.00 40.15 O ATOM 0 H ASP A 113 23.278 13.114 9.543 1.00 22.11 H new ATOM 0 HA ASP A 113 24.518 12.032 11.818 1.00 32.35 H new ATOM 0 HB2 ASP A 113 21.541 12.422 11.283 1.00 60.35 H new ATOM 0 HB3 ASP A 113 22.310 12.339 12.856 1.00 60.35 H new ATOM 1240 N LEU A 114 24.377 9.573 11.348 1.00 24.52 N ATOM 1241 CA LEU A 114 24.293 8.111 11.420 1.00 53.25 C ATOM 1242 C LEU A 114 25.677 7.519 11.729 1.00 55.53 C ATOM 1243 O LEU A 114 26.699 8.146 11.445 1.00 14.21 O ATOM 1244 CB LEU A 114 23.722 7.527 10.111 1.00 44.23 C ATOM 1245 CG LEU A 114 24.373 8.004 8.793 1.00 33.02 C ATOM 1246 CD1 LEU A 114 25.722 7.329 8.545 1.00 43.23 C ATOM 1247 CD2 LEU A 114 23.427 7.765 7.623 1.00 70.44 C ATOM 0 H LEU A 114 25.331 9.928 11.409 1.00 24.52 H new ATOM 0 HA LEU A 114 23.612 7.841 12.227 1.00 53.25 H new ATOM 0 HB2 LEU A 114 23.806 6.441 10.158 1.00 44.23 H new ATOM 0 HB3 LEU A 114 22.659 7.763 10.069 1.00 44.23 H new ATOM 0 HG LEU A 114 24.561 9.074 8.884 1.00 33.02 H new ATOM 0 HD11 LEU A 114 26.144 7.693 7.608 1.00 43.23 H new ATOM 0 HD12 LEU A 114 26.402 7.562 9.365 1.00 43.23 H new ATOM 0 HD13 LEU A 114 25.583 6.250 8.485 1.00 43.23 H new ATOM 0 HD21 LEU A 114 23.897 8.105 6.700 1.00 70.44 H new ATOM 0 HD22 LEU A 114 23.205 6.701 7.546 1.00 70.44 H new ATOM 0 HD23 LEU A 114 22.502 8.318 7.784 1.00 70.44 H new ATOM 1259 N LEU A 115 25.718 6.330 12.325 1.00 42.21 N ATOM 1260 CA LEU A 115 26.994 5.662 12.595 1.00 62.31 C ATOM 1261 C LEU A 115 27.340 4.613 11.520 1.00 21.44 C ATOM 1262 O LEU A 115 26.488 4.224 10.717 1.00 64.15 O ATOM 1263 CB LEU A 115 27.001 5.042 14.001 1.00 3.14 C ATOM 1264 CG LEU A 115 25.806 4.168 14.406 1.00 34.21 C ATOM 1265 CD1 LEU A 115 25.663 2.928 13.520 1.00 64.53 C ATOM 1266 CD2 LEU A 115 25.973 3.769 15.861 1.00 51.42 C ATOM 0 H LEU A 115 24.894 5.812 12.628 1.00 42.21 H new ATOM 0 HA LEU A 115 27.772 6.424 12.555 1.00 62.31 H new ATOM 0 HB2 LEU A 115 27.904 4.439 14.096 1.00 3.14 H new ATOM 0 HB3 LEU A 115 27.082 5.854 14.724 1.00 3.14 H new ATOM 0 HG LEU A 115 24.892 4.747 14.273 1.00 34.21 H new ATOM 0 HD11 LEU A 115 24.803 2.344 13.848 1.00 64.53 H new ATOM 0 HD12 LEU A 115 25.519 3.236 12.484 1.00 64.53 H new ATOM 0 HD13 LEU A 115 26.565 2.321 13.596 1.00 64.53 H new ATOM 0 HD21 LEU A 115 25.132 3.147 16.166 1.00 51.42 H new ATOM 0 HD22 LEU A 115 26.901 3.209 15.981 1.00 51.42 H new ATOM 0 HD23 LEU A 115 26.007 4.664 16.482 1.00 51.42 H new ATOM 1278 N PRO A 116 28.607 4.150 11.477 1.00 71.41 N ATOM 1279 CA PRO A 116 29.020 3.078 10.561 1.00 10.12 C ATOM 1280 C PRO A 116 28.344 1.732 10.885 1.00 2.40 C ATOM 1281 O PRO A 116 28.780 1.008 11.783 1.00 52.14 O ATOM 1282 CB PRO A 116 30.546 2.979 10.769 1.00 32.14 C ATOM 1283 CG PRO A 116 30.936 4.227 11.494 1.00 63.20 C ATOM 1284 CD PRO A 116 29.733 4.646 12.288 1.00 15.22 C ATOM 0 HA PRO A 116 28.734 3.299 9.533 1.00 10.12 H new ATOM 0 HB2 PRO A 116 30.806 2.092 11.347 1.00 32.14 H new ATOM 0 HB3 PRO A 116 31.067 2.901 9.815 1.00 32.14 H new ATOM 0 HG2 PRO A 116 31.790 4.047 12.147 1.00 63.20 H new ATOM 0 HG3 PRO A 116 31.231 5.008 10.793 1.00 63.20 H new ATOM 0 HD2 PRO A 116 29.736 4.207 13.285 1.00 15.22 H new ATOM 0 HD3 PRO A 116 29.692 5.728 12.416 1.00 15.22 H new ATOM 1292 N VAL A 117 27.259 1.417 10.175 1.00 71.42 N ATOM 1293 CA VAL A 117 26.580 0.123 10.337 1.00 23.23 C ATOM 1294 C VAL A 117 27.446 -1.041 9.812 1.00 41.44 C ATOM 1295 O VAL A 117 27.217 -1.587 8.732 1.00 33.31 O ATOM 1296 CB VAL A 117 25.183 0.114 9.655 1.00 64.14 C ATOM 1297 CG1 VAL A 117 24.207 1.017 10.410 1.00 54.11 C ATOM 1298 CG2 VAL A 117 25.279 0.544 8.190 1.00 54.44 C ATOM 0 H VAL A 117 26.831 2.034 9.485 1.00 71.42 H new ATOM 0 HA VAL A 117 26.430 -0.021 11.407 1.00 23.23 H new ATOM 0 HB VAL A 117 24.807 -0.908 9.684 1.00 64.14 H new ATOM 0 HG11 VAL A 117 23.236 0.996 9.916 1.00 54.11 H new ATOM 0 HG12 VAL A 117 24.101 0.661 11.435 1.00 54.11 H new ATOM 0 HG13 VAL A 117 24.588 2.038 10.418 1.00 54.11 H new ATOM 0 HG21 VAL A 117 24.286 0.528 7.740 1.00 54.44 H new ATOM 0 HG22 VAL A 117 25.687 1.553 8.133 1.00 54.44 H new ATOM 0 HG23 VAL A 117 25.933 -0.142 7.651 1.00 54.44 H new ATOM 1308 N VAL A 118 28.463 -1.401 10.588 1.00 3.31 N ATOM 1309 CA VAL A 118 29.413 -2.443 10.193 1.00 75.31 C ATOM 1310 C VAL A 118 28.943 -3.841 10.624 1.00 5.42 C ATOM 1311 O VAL A 118 28.922 -4.169 11.814 1.00 72.41 O ATOM 1312 CB VAL A 118 30.823 -2.173 10.784 1.00 10.12 C ATOM 1313 CG1 VAL A 118 31.809 -3.279 10.397 1.00 20.53 C ATOM 1314 CG2 VAL A 118 31.343 -0.810 10.334 1.00 52.53 C ATOM 0 H VAL A 118 28.654 -0.986 11.500 1.00 3.31 H new ATOM 0 HA VAL A 118 29.467 -2.415 9.105 1.00 75.31 H new ATOM 0 HB VAL A 118 30.734 -2.169 11.870 1.00 10.12 H new ATOM 0 HG11 VAL A 118 32.787 -3.061 10.826 1.00 20.53 H new ATOM 0 HG12 VAL A 118 31.451 -4.235 10.778 1.00 20.53 H new ATOM 0 HG13 VAL A 118 31.892 -3.329 9.311 1.00 20.53 H new ATOM 0 HG21 VAL A 118 32.332 -0.640 10.759 1.00 52.53 H new ATOM 0 HG22 VAL A 118 31.406 -0.786 9.246 1.00 52.53 H new ATOM 0 HG23 VAL A 118 30.662 -0.030 10.675 1.00 52.53 H new ATOM 1324 N GLU A 119 28.554 -4.657 9.651 1.00 65.11 N ATOM 1325 CA GLU A 119 28.199 -6.054 9.906 1.00 3.22 C ATOM 1326 C GLU A 119 29.211 -6.985 9.225 1.00 32.32 C ATOM 1327 O GLU A 119 29.352 -6.977 8.002 1.00 12.31 O ATOM 1328 CB GLU A 119 26.773 -6.339 9.419 1.00 14.53 C ATOM 1329 CG GLU A 119 25.729 -5.420 10.052 1.00 52.55 C ATOM 1330 CD GLU A 119 24.303 -5.792 9.687 1.00 11.54 C ATOM 1331 OE1 GLU A 119 23.913 -5.598 8.519 1.00 73.50 O ATOM 1332 OE2 GLU A 119 23.564 -6.283 10.570 1.00 33.03 O ATOM 0 H GLU A 119 28.475 -4.377 8.673 1.00 65.11 H new ATOM 0 HA GLU A 119 28.231 -6.240 10.980 1.00 3.22 H new ATOM 0 HB2 GLU A 119 26.737 -6.228 8.335 1.00 14.53 H new ATOM 0 HB3 GLU A 119 26.519 -7.375 9.642 1.00 14.53 H new ATOM 0 HG2 GLU A 119 25.839 -5.449 11.136 1.00 52.55 H new ATOM 0 HG3 GLU A 119 25.921 -4.394 9.739 1.00 52.55 H new ATOM 1339 N ILE A 120 29.915 -7.783 10.023 1.00 35.33 N ATOM 1340 CA ILE A 120 31.049 -8.574 9.529 1.00 0.24 C ATOM 1341 C ILE A 120 30.594 -9.915 8.908 1.00 33.11 C ATOM 1342 O ILE A 120 29.509 -10.416 9.211 1.00 74.40 O ATOM 1343 CB ILE A 120 32.073 -8.821 10.665 1.00 53.23 C ATOM 1344 CG1 ILE A 120 32.242 -7.543 11.508 1.00 61.11 C ATOM 1345 CG2 ILE A 120 33.421 -9.255 10.089 1.00 41.31 C ATOM 1346 CD1 ILE A 120 33.208 -7.691 12.663 1.00 1.15 C ATOM 0 H ILE A 120 29.723 -7.902 11.018 1.00 35.33 H new ATOM 0 HA ILE A 120 31.529 -7.997 8.739 1.00 0.24 H new ATOM 0 HB ILE A 120 31.698 -9.621 11.303 1.00 53.23 H new ATOM 0 HG12 ILE A 120 32.586 -6.736 10.861 1.00 61.11 H new ATOM 0 HG13 ILE A 120 31.268 -7.246 11.898 1.00 61.11 H new ATOM 0 HG21 ILE A 120 34.127 -9.424 10.902 1.00 41.31 H new ATOM 0 HG22 ILE A 120 33.294 -10.177 9.521 1.00 41.31 H new ATOM 0 HG23 ILE A 120 33.804 -8.474 9.432 1.00 41.31 H new ATOM 0 HD11 ILE A 120 33.272 -6.749 13.207 1.00 1.15 H new ATOM 0 HD12 ILE A 120 32.856 -8.474 13.334 1.00 1.15 H new ATOM 0 HD13 ILE A 120 34.194 -7.957 12.281 1.00 1.15 H new ATOM 1358 N ILE A 121 31.444 -10.489 8.042 1.00 10.51 N ATOM 1359 CA ILE A 121 31.082 -11.652 7.212 1.00 51.22 C ATOM 1360 C ILE A 121 29.815 -11.349 6.386 1.00 53.05 C ATOM 1361 O ILE A 121 28.740 -11.912 6.610 1.00 52.41 O ATOM 1362 CB ILE A 121 30.905 -12.981 8.024 1.00 3.12 C ATOM 1363 CG1 ILE A 121 32.212 -13.385 8.744 1.00 40.35 C ATOM 1364 CG2 ILE A 121 30.456 -14.122 7.106 1.00 45.30 C ATOM 1365 CD1 ILE A 121 32.526 -12.574 9.979 1.00 73.14 C ATOM 0 H ILE A 121 32.399 -10.162 7.897 1.00 10.51 H new ATOM 0 HA ILE A 121 31.926 -11.821 6.543 1.00 51.22 H new ATOM 0 HB ILE A 121 30.137 -12.798 8.776 1.00 3.12 H new ATOM 0 HG12 ILE A 121 32.148 -14.437 9.023 1.00 40.35 H new ATOM 0 HG13 ILE A 121 33.041 -13.291 8.043 1.00 40.35 H new ATOM 0 HG21 ILE A 121 30.339 -15.035 7.690 1.00 45.30 H new ATOM 0 HG22 ILE A 121 29.504 -13.863 6.643 1.00 45.30 H new ATOM 0 HG23 ILE A 121 31.205 -14.281 6.330 1.00 45.30 H new ATOM 0 HD11 ILE A 121 33.459 -12.927 10.418 1.00 73.14 H new ATOM 0 HD12 ILE A 121 32.627 -11.523 9.708 1.00 73.14 H new ATOM 0 HD13 ILE A 121 31.719 -12.686 10.703 1.00 73.14 H new ATOM 1377 N ASN A 122 29.941 -10.400 5.460 1.00 62.41 N ATOM 1378 CA ASN A 122 28.828 -10.000 4.581 1.00 23.05 C ATOM 1379 C ASN A 122 29.322 -9.687 3.158 1.00 71.25 C ATOM 1380 O ASN A 122 28.589 -9.124 2.339 1.00 25.41 O ATOM 1381 CB ASN A 122 28.094 -8.780 5.170 1.00 60.34 C ATOM 1382 CG ASN A 122 27.185 -9.149 6.330 1.00 64.34 C ATOM 1383 OD1 ASN A 122 27.716 -9.147 7.531 1.00 51.32 O flip ATOM 1384 ND2 ASN A 122 26.006 -9.433 6.144 1.00 55.11 N flip ATOM 0 H ASN A 122 30.807 -9.887 5.293 1.00 62.41 H new ATOM 0 HA ASN A 122 28.133 -10.838 4.519 1.00 23.05 H new ATOM 0 HB2 ASN A 122 28.827 -8.047 5.507 1.00 60.34 H new ATOM 0 HB3 ASN A 122 27.503 -8.303 4.388 1.00 60.34 H new ATOM 0 HD21 ASN A 122 25.623 -9.426 5.199 1.00 55.11 H new ATOM 0 HD22 ASN A 122 25.409 -9.676 6.935 1.00 55.11 H new ATOM 1391 N SER A 123 30.565 -10.067 2.866 1.00 11.21 N ATOM 1392 CA SER A 123 31.166 -9.832 1.546 1.00 22.43 C ATOM 1393 C SER A 123 30.711 -10.879 0.518 1.00 73.31 C ATOM 1394 O SER A 123 30.191 -11.937 0.876 1.00 15.53 O ATOM 1395 CB SER A 123 32.698 -9.858 1.651 1.00 31.14 C ATOM 1396 OG SER A 123 33.166 -11.117 2.121 1.00 25.21 O ATOM 0 H SER A 123 31.181 -10.541 3.526 1.00 11.21 H new ATOM 0 HA SER A 123 30.832 -8.852 1.206 1.00 22.43 H new ATOM 0 HB2 SER A 123 33.135 -9.648 0.675 1.00 31.14 H new ATOM 0 HB3 SER A 123 33.031 -9.070 2.326 1.00 31.14 H new ATOM 0 HG SER A 123 34.144 -11.103 2.175 1.00 25.21 H new ATOM 1402 N GLU A 124 30.912 -10.563 -0.767 1.00 12.10 N ATOM 1403 CA GLU A 124 30.583 -11.478 -1.875 1.00 23.44 C ATOM 1404 C GLU A 124 29.073 -11.786 -1.957 1.00 5.42 C ATOM 1405 O GLU A 124 28.651 -12.703 -2.664 1.00 3.30 O ATOM 1406 CB GLU A 124 31.395 -12.779 -1.753 1.00 11.33 C ATOM 1407 CG GLU A 124 32.903 -12.560 -1.811 1.00 75.32 C ATOM 1408 CD GLU A 124 33.692 -13.854 -1.717 1.00 50.54 C ATOM 1409 OE1 GLU A 124 33.911 -14.502 -2.763 1.00 10.31 O ATOM 1410 OE2 GLU A 124 34.103 -14.229 -0.599 1.00 32.40 O ATOM 0 H GLU A 124 31.305 -9.672 -1.071 1.00 12.10 H new ATOM 0 HA GLU A 124 30.854 -10.972 -2.802 1.00 23.44 H new ATOM 0 HB2 GLU A 124 31.143 -13.269 -0.813 1.00 11.33 H new ATOM 0 HB3 GLU A 124 31.103 -13.457 -2.555 1.00 11.33 H new ATOM 0 HG2 GLU A 124 33.156 -12.053 -2.742 1.00 75.32 H new ATOM 0 HG3 GLU A 124 33.201 -11.899 -0.997 1.00 75.32 H new ATOM 1417 N ALA A 125 28.260 -11.000 -1.252 1.00 51.20 N ATOM 1418 CA ALA A 125 26.802 -11.159 -1.296 1.00 52.11 C ATOM 1419 C ALA A 125 26.182 -10.295 -2.405 1.00 64.12 C ATOM 1420 O ALA A 125 24.995 -10.413 -2.712 1.00 34.12 O ATOM 1421 CB ALA A 125 26.196 -10.812 0.061 1.00 13.21 C ATOM 0 H ALA A 125 28.583 -10.247 -0.644 1.00 51.20 H new ATOM 0 HA ALA A 125 26.578 -12.201 -1.525 1.00 52.11 H new ATOM 0 HB1 ALA A 125 25.114 -10.933 0.018 1.00 13.21 H new ATOM 0 HB2 ALA A 125 26.605 -11.476 0.823 1.00 13.21 H new ATOM 0 HB3 ALA A 125 26.436 -9.779 0.313 1.00 13.21 H new ATOM 1427 N ALA A 126 27.001 -9.435 -3.007 1.00 41.24 N ATOM 1428 CA ALA A 126 26.561 -8.555 -4.096 1.00 70.34 C ATOM 1429 C ALA A 126 27.402 -8.765 -5.369 1.00 62.33 C ATOM 1430 O ALA A 126 28.420 -8.099 -5.573 1.00 60.13 O ATOM 1431 CB ALA A 126 26.625 -7.101 -3.646 1.00 43.03 C ATOM 0 H ALA A 126 27.984 -9.326 -2.758 1.00 41.24 H new ATOM 0 HA ALA A 126 25.530 -8.809 -4.341 1.00 70.34 H new ATOM 0 HB1 ALA A 126 26.297 -6.454 -4.459 1.00 43.03 H new ATOM 0 HB2 ALA A 126 25.974 -6.958 -2.783 1.00 43.03 H new ATOM 0 HB3 ALA A 126 27.650 -6.849 -3.373 1.00 43.03 H new ATOM 1437 N VAL A 127 26.979 -9.701 -6.219 1.00 13.33 N ATOM 1438 CA VAL A 127 27.693 -10.008 -7.465 1.00 32.42 C ATOM 1439 C VAL A 127 26.904 -9.523 -8.694 1.00 21.04 C ATOM 1440 O VAL A 127 25.922 -10.140 -9.107 1.00 25.41 O ATOM 1441 CB VAL A 127 27.970 -11.529 -7.595 1.00 61.14 C ATOM 1442 CG1 VAL A 127 28.748 -11.836 -8.876 1.00 33.43 C ATOM 1443 CG2 VAL A 127 28.720 -12.048 -6.365 1.00 23.34 C ATOM 0 H VAL A 127 26.142 -10.264 -6.069 1.00 13.33 H new ATOM 0 HA VAL A 127 28.645 -9.479 -7.426 1.00 32.42 H new ATOM 0 HB VAL A 127 27.011 -12.044 -7.653 1.00 61.14 H new ATOM 0 HG11 VAL A 127 28.929 -12.909 -8.943 1.00 33.43 H new ATOM 0 HG12 VAL A 127 28.169 -11.511 -9.740 1.00 33.43 H new ATOM 0 HG13 VAL A 127 29.701 -11.307 -8.858 1.00 33.43 H new ATOM 0 HG21 VAL A 127 28.905 -13.117 -6.476 1.00 23.34 H new ATOM 0 HG22 VAL A 127 29.671 -11.523 -6.270 1.00 23.34 H new ATOM 0 HG23 VAL A 127 28.119 -11.874 -5.472 1.00 23.34 H new ATOM 1453 N LEU A 128 27.343 -8.412 -9.281 1.00 52.30 N ATOM 1454 CA LEU A 128 26.662 -7.821 -10.441 1.00 61.41 C ATOM 1455 C LEU A 128 27.357 -8.203 -11.762 1.00 52.12 C ATOM 1456 O LEU A 128 27.211 -7.521 -12.777 1.00 4.05 O ATOM 1457 CB LEU A 128 26.615 -6.295 -10.288 1.00 73.44 C ATOM 1458 CG LEU A 128 25.912 -5.783 -9.018 1.00 23.45 C ATOM 1459 CD1 LEU A 128 25.961 -4.257 -8.949 1.00 15.42 C ATOM 1460 CD2 LEU A 128 24.468 -6.283 -8.961 1.00 53.34 C ATOM 0 H LEU A 128 28.169 -7.898 -8.975 1.00 52.30 H new ATOM 0 HA LEU A 128 25.647 -8.216 -10.478 1.00 61.41 H new ATOM 0 HB2 LEU A 128 27.636 -5.914 -10.297 1.00 73.44 H new ATOM 0 HB3 LEU A 128 26.110 -5.874 -11.158 1.00 73.44 H new ATOM 0 HG LEU A 128 26.443 -6.178 -8.152 1.00 23.45 H new ATOM 0 HD11 LEU A 128 25.458 -3.917 -8.043 1.00 15.42 H new ATOM 0 HD12 LEU A 128 27.000 -3.927 -8.933 1.00 15.42 H new ATOM 0 HD13 LEU A 128 25.460 -3.837 -9.821 1.00 15.42 H new ATOM 0 HD21 LEU A 128 23.989 -5.910 -8.056 1.00 53.34 H new ATOM 0 HD22 LEU A 128 23.924 -5.923 -9.834 1.00 53.34 H new ATOM 0 HD23 LEU A 128 24.460 -7.373 -8.952 1.00 53.34 H new ATOM 1472 N GLU A 129 28.079 -9.324 -11.748 1.00 40.52 N ATOM 1473 CA GLU A 129 28.844 -9.789 -12.918 1.00 11.12 C ATOM 1474 C GLU A 129 27.959 -10.485 -13.974 1.00 41.30 C ATOM 1475 O GLU A 129 28.470 -11.127 -14.893 1.00 10.24 O ATOM 1476 CB GLU A 129 29.953 -10.751 -12.469 1.00 40.02 C ATOM 1477 CG GLU A 129 30.997 -10.120 -11.553 1.00 4.40 C ATOM 1478 CD GLU A 129 32.086 -11.104 -11.155 1.00 55.01 C ATOM 1479 OE1 GLU A 129 32.721 -11.683 -12.061 1.00 62.42 O ATOM 1480 OE2 GLU A 129 32.306 -11.313 -9.942 1.00 42.32 O ATOM 0 H GLU A 129 28.154 -9.935 -10.935 1.00 40.52 H new ATOM 0 HA GLU A 129 29.274 -8.904 -13.386 1.00 11.12 H new ATOM 0 HB2 GLU A 129 29.498 -11.597 -11.954 1.00 40.02 H new ATOM 0 HB3 GLU A 129 30.454 -11.148 -13.352 1.00 40.02 H new ATOM 0 HG2 GLU A 129 31.449 -9.265 -12.056 1.00 4.40 H new ATOM 0 HG3 GLU A 129 30.508 -9.740 -10.656 1.00 4.40 H new ATOM 1487 N HIS A 130 26.640 -10.347 -13.851 1.00 2.24 N ATOM 1488 CA HIS A 130 25.707 -10.995 -14.785 1.00 2.41 C ATOM 1489 C HIS A 130 25.399 -10.091 -15.991 1.00 55.30 C ATOM 1490 O HIS A 130 25.262 -8.876 -15.851 1.00 13.32 O ATOM 1491 CB HIS A 130 24.412 -11.374 -14.061 1.00 22.43 C ATOM 1492 CG HIS A 130 24.631 -12.290 -12.896 1.00 20.53 C ATOM 1493 ND1 HIS A 130 24.364 -11.929 -11.592 1.00 73.51 N ATOM 1494 CD2 HIS A 130 25.100 -13.561 -12.839 1.00 24.44 C ATOM 1495 CE1 HIS A 130 24.662 -12.928 -10.789 1.00 64.14 C ATOM 1496 NE2 HIS A 130 25.109 -13.927 -11.518 1.00 75.33 N ATOM 0 H HIS A 130 26.190 -9.796 -13.120 1.00 2.24 H new ATOM 0 HA HIS A 130 26.184 -11.900 -15.161 1.00 2.41 H new ATOM 0 HB2 HIS A 130 23.919 -10.466 -13.713 1.00 22.43 H new ATOM 0 HB3 HIS A 130 23.735 -11.853 -14.769 1.00 22.43 H new ATOM 0 HD2 HIS A 130 25.408 -14.170 -13.676 1.00 24.44 H new ATOM 0 HE1 HIS A 130 24.557 -12.928 -9.714 1.00 64.14 H new ATOM 0 HE2 HIS A 130 25.414 -14.831 -11.158 1.00 75.33 H new ATOM 1505 N HIS A 131 25.286 -10.696 -17.174 1.00 62.30 N ATOM 1506 CA HIS A 131 25.114 -9.941 -18.428 1.00 23.33 C ATOM 1507 C HIS A 131 23.660 -9.961 -18.940 1.00 34.32 C ATOM 1508 O HIS A 131 23.043 -11.023 -19.034 1.00 60.34 O ATOM 1509 CB HIS A 131 26.040 -10.519 -19.503 1.00 30.42 C ATOM 1510 CG HIS A 131 27.500 -10.412 -19.177 1.00 54.11 C ATOM 1511 ND1 HIS A 131 28.389 -9.684 -19.938 1.00 12.24 N ATOM 1512 CD2 HIS A 131 28.234 -10.960 -18.177 1.00 63.22 C ATOM 1513 CE1 HIS A 131 29.596 -9.792 -19.426 1.00 53.40 C ATOM 1514 NE2 HIS A 131 29.531 -10.558 -18.361 1.00 43.05 N ATOM 0 H HIS A 131 25.310 -11.708 -17.296 1.00 62.30 H new ATOM 0 HA HIS A 131 25.369 -8.902 -18.218 1.00 23.33 H new ATOM 0 HB2 HIS A 131 25.789 -11.569 -19.657 1.00 30.42 H new ATOM 0 HB3 HIS A 131 25.851 -10.005 -20.445 1.00 30.42 H new ATOM 0 HD2 HIS A 131 27.865 -11.594 -17.384 1.00 63.22 H new ATOM 0 HE1 HIS A 131 30.490 -9.329 -19.816 1.00 53.40 H new ATOM 0 HE2 HIS A 131 30.320 -10.813 -17.766 1.00 43.05 H new ATOM 1523 N HIS A 132 23.126 -8.779 -19.279 1.00 74.32 N ATOM 1524 CA HIS A 132 21.776 -8.656 -19.867 1.00 72.22 C ATOM 1525 C HIS A 132 21.566 -7.290 -20.555 1.00 62.21 C ATOM 1526 O HIS A 132 21.677 -6.238 -19.921 1.00 0.14 O ATOM 1527 CB HIS A 132 20.682 -8.876 -18.803 1.00 31.42 C ATOM 1528 CG HIS A 132 20.206 -10.297 -18.701 1.00 43.14 C ATOM 1529 ND1 HIS A 132 19.955 -10.931 -17.502 1.00 51.34 N ATOM 1530 CD2 HIS A 132 19.906 -11.204 -19.668 1.00 63.24 C ATOM 1531 CE1 HIS A 132 19.526 -12.157 -17.734 1.00 41.13 C ATOM 1532 NE2 HIS A 132 19.488 -12.344 -19.035 1.00 33.22 N ATOM 0 H HIS A 132 23.608 -7.888 -19.157 1.00 74.32 H new ATOM 0 HA HIS A 132 21.696 -9.434 -20.626 1.00 72.22 H new ATOM 0 HB2 HIS A 132 21.065 -8.561 -17.832 1.00 31.42 H new ATOM 0 HB3 HIS A 132 19.831 -8.234 -19.033 1.00 31.42 H new ATOM 0 HD2 HIS A 132 19.983 -11.054 -20.735 1.00 63.24 H new ATOM 0 HE1 HIS A 132 19.253 -12.883 -16.983 1.00 41.13 H new ATOM 0 HE2 HIS A 132 19.194 -13.203 -19.500 1.00 33.22 H new ATOM 1541 N HIS A 133 21.247 -7.322 -21.852 1.00 5.12 N ATOM 1542 CA HIS A 133 20.959 -6.104 -22.626 1.00 25.42 C ATOM 1543 C HIS A 133 19.450 -5.798 -22.633 1.00 5.33 C ATOM 1544 O HIS A 133 18.636 -6.690 -22.875 1.00 32.21 O ATOM 1545 CB HIS A 133 21.451 -6.263 -24.073 1.00 1.12 C ATOM 1546 CG HIS A 133 22.922 -6.520 -24.189 1.00 70.42 C ATOM 1547 ND1 HIS A 133 23.825 -5.563 -24.595 1.00 3.33 N ATOM 1548 CD2 HIS A 133 23.646 -7.645 -23.974 1.00 32.25 C ATOM 1549 CE1 HIS A 133 25.035 -6.083 -24.625 1.00 21.34 C ATOM 1550 NE2 HIS A 133 24.955 -7.344 -24.251 1.00 21.15 N ATOM 0 H HIS A 133 21.181 -8.183 -22.394 1.00 5.12 H new ATOM 0 HA HIS A 133 21.484 -5.275 -22.151 1.00 25.42 H new ATOM 0 HB2 HIS A 133 20.910 -7.085 -24.542 1.00 1.12 H new ATOM 0 HB3 HIS A 133 21.205 -5.360 -24.631 1.00 1.12 H new ATOM 0 HD2 HIS A 133 23.264 -8.600 -23.646 1.00 32.25 H new ATOM 0 HE1 HIS A 133 25.939 -5.564 -24.908 1.00 21.34 H new ATOM 0 HE2 HIS A 133 25.740 -7.992 -24.179 1.00 21.15 H new ATOM 1559 N HIS A 134 19.090 -4.533 -22.379 1.00 15.21 N ATOM 1560 CA HIS A 134 17.676 -4.104 -22.335 1.00 51.11 C ATOM 1561 C HIS A 134 16.886 -4.872 -21.257 1.00 74.43 C ATOM 1562 O HIS A 134 17.461 -5.604 -20.449 1.00 2.04 O ATOM 1563 CB HIS A 134 16.996 -4.308 -23.701 1.00 30.44 C ATOM 1564 CG HIS A 134 17.692 -3.643 -24.852 1.00 25.35 C ATOM 1565 ND1 HIS A 134 18.121 -4.334 -25.965 1.00 23.41 N ATOM 1566 CD2 HIS A 134 18.010 -2.347 -25.075 1.00 53.05 C ATOM 1567 CE1 HIS A 134 18.672 -3.498 -26.818 1.00 23.40 C ATOM 1568 NE2 HIS A 134 18.618 -2.288 -26.305 1.00 13.50 N ATOM 0 H HIS A 134 19.757 -3.783 -22.200 1.00 15.21 H new ATOM 0 HA HIS A 134 17.673 -3.043 -22.084 1.00 51.11 H new ATOM 0 HB2 HIS A 134 16.929 -5.377 -23.903 1.00 30.44 H new ATOM 0 HB3 HIS A 134 15.975 -3.930 -23.644 1.00 30.44 H new ATOM 0 HD2 HIS A 134 17.821 -1.516 -24.411 1.00 53.05 H new ATOM 0 HE1 HIS A 134 19.096 -3.760 -27.776 1.00 23.40 H new ATOM 0 HE2 HIS A 134 18.971 -1.441 -26.750 1.00 13.50 H new ATOM 1577 N HIS A 135 15.567 -4.687 -21.237 1.00 65.10 N ATOM 1578 CA HIS A 135 14.689 -5.480 -20.363 1.00 12.04 C ATOM 1579 C HIS A 135 13.918 -6.546 -21.172 1.00 72.43 C ATOM 1580 O HIS A 135 14.467 -7.651 -21.383 1.00 38.70 O ATOM 1581 CB HIS A 135 13.713 -4.567 -19.606 1.00 35.21 C ATOM 1582 CG HIS A 135 14.374 -3.646 -18.628 1.00 11.11 C ATOM 1583 ND1 HIS A 135 14.016 -2.324 -18.475 1.00 12.34 N ATOM 1584 CD2 HIS A 135 15.362 -3.869 -17.728 1.00 71.10 C ATOM 1585 CE1 HIS A 135 14.751 -1.777 -17.529 1.00 1.01 C ATOM 1586 NE2 HIS A 135 15.574 -2.691 -17.059 1.00 73.23 N ATOM 1587 OXT HIS A 135 12.775 -6.270 -21.603 1.00 38.70 O ATOM 0 H HIS A 135 15.080 -3.999 -21.811 1.00 65.10 H new ATOM 0 HA HIS A 135 15.315 -5.996 -19.635 1.00 12.04 H new ATOM 0 HB2 HIS A 135 13.154 -3.972 -20.328 1.00 35.21 H new ATOM 0 HB3 HIS A 135 12.990 -5.186 -19.075 1.00 35.21 H new ATOM 0 HD2 HIS A 135 15.885 -4.800 -17.568 1.00 71.10 H new ATOM 0 HE1 HIS A 135 14.689 -0.752 -17.195 1.00 1.01 H new ATOM 0 HE2 HIS A 135 16.259 -2.546 -16.317 1.00 73.23 H new TER 1596 HIS A 135